G. W. A. Milne
1. Milne, G. W. A., and Smith, H.: Stereochemistry of pimaric and isopimaric acid. Chem. Ind. (London): 1307-1308, 1961.
2. Kupchan, S.M., McLean, S., and Milne, G.W.A.: The chemistry of 3,4,7-trisubstituted steroids. J. Org. Chem.: 27, 147-153, 1963.
3. Kupchan, S.M., Slade, P., Young, R.J., and Milne, G. W. A.: Facilitation of alkaline hydrolysis of alicyclic diol, 1,2 diol monoesters. Tetrahedron: 18, 499-506, 1962.
4. Kupchan, S.M., Masamune, T., and Milne, G.W.A.: Steroid Hormone analogs. II. Transforma; tions in the C-nor-D-homosteroid series. J. Org. Chem.: 29, 755-757, 1964.
5. Klayman, D.L., and Milne, G.W.A.: 2-Amino-delta-2-thiazolines from aminoethyl thiosulfates; the mass spectra of 2-amino delta-2-thiazolines and related compounds. J. Org. Chem.: 31, 2349-2356, 1966.
6. Milne, G.W.A., and Plimmer, J.R.: The high-resolution mass spectra of bisbenzyltetrahydroisoquinoline alkaloids. The structure of hayatin. J. Chem. Soc.: 1966-1968, 1966.
7. Avigan, J., Steinberg, D., Gutman, A., Mize, C. E., and Milne, G.W.A.: -Decarboxylation, an important pathway for the degradation of phytanic acid in mammals. Biochem. & Biophys. Res. Commun.: 24, 838, 1966.
8. Goldman, P., and Milne, G. W. A.: Carbon-fluorine bond cleavage. II. Studies on the mechanism of the defluorination of fluoracetate. J. Biol. Chem.: 244, 5557-5559, 1966.
9. Milne, G.W.A., and Cohen, L. A.: The nuclear magnetic resonance and mass spectra of derivatives of cycloserine. Tetrahedron: 23, 65-76, 1967.
10. Goldman, P., Milne, G. W. A., and Pignataro, M.: Fluorine containing metabolites formed from 2-fluorobenzoic acid by Pseudomonas sp. Arch. Biochem. Biophys.: 118, 178-184, 1967.
11. Klayman, D.L., Senning, A., and Milne, G. W. A.: The structure of N-carbamoyl-2-amino--2-thiazoline. Acta Chem. Scand.: 21, 217-223, 1967.
12. Klayman, D.L., Maul, J. J., and Milne, G. W. A.: 2-amino-2-thiazoline. III. The differing behavior of phenyl isothiocyanate and phenyl isocyanate towards 2-amino--2-thiazoline. Tetrahedron Lett.: 3, 281-284, 1967.
13. Avigan, J., Milne, G. W. A., and Highet, R.J.: The occurrence of phytane and pristane in man and animals. Biochem. Biophys. Acta: 144, 127-131, 1967.
14. Steinberg, D., Herndon, J.H., Uhlendorf, B.W., Mize, C. E., Avigan, J. and Milne, G.W.A.: Refsum's disease. Nature of the enzyme defect. Science: 156, 170-173, 1967.
15. Wilchek, M., Spande, T.F., Witkop, B., and Milne, G.W.A.: Chemical conversion of tyrosine to 6-hydroxyindoles. J. Amer. Chem. Soc.: 89, 3349, 1967.
16. Holtzmann, J., Gillette, J.R., and Milne, G.W.A.: The incorporation of oxygen-18 into naphthalene in the enzymatic formation of 1,2-dihydronaphthalene-1,2-diol. J. Biol. Chem.: 242, 4386-4387, 1967.
17. Axenrod, T., and Milne, G.W.A.: Evidence for the intermolecular mechanism in the photoisomerization of N-nitrosodialkyl amines to amidoximes. Tetrahedron Lett.: 45, 4443-4445, 1967.
18. Holtzmann, J., Gillette, J.R., and Milne, G.W.A.: The metabolic products of naphthalene in mammalian systems. J. Amer. Chem. Soc.: 89, 6341, 1967.
19. Axenrod, T., and Milne, G.W.A.: Electron-impact-induced rearrangements of dibenzylnitrosamines. Chem. Commun.: 67-68, 1968.
20. Goldman, P., Milne, G. W. A., and Keister, D. B.: Carbon halogen bond cleavage. III. Studies on bacterial halidohydrolases. J. Biol. Chem.: 243, 248-254, 1968.
21. Milne, G.W.A.: The application of high resolution mass spectrometry to organic chemistry. Quart. Rev.: 22, 75-93, 1968.
22. Wilchek, M., Spande, T.F., Milne, G.W.A., and Witkop, B.: The non-enzymatic conversion of tyrosine to mono- and dihydroxyindoles. Biochemistry: 7, 1777-1786, 1968.
23. Klayman, D.L., Maul, J. J., and Milne, G. W. A.: 2-amino 2-thiazoline. V. Phenylthioureido and phenylureido derivatives of -2-thiazoline. J. Heter. Chem.: 5, 517-522, 1968.
24. Axenrod, T., Pregosin, P. S., and Milne, G. W. A.: Nitrogen-15 magnetic resonance spectroscopy. Configuration of N-nitrosamines. Chem. Commun.: 2, 702-703, 1968.
25. Axenrod, T., and Milne, G. W. A.: Photochemistry of nitrosamines. Mechanism studies. Tetrahedron: 24, 5775-5783, 1968.
26. Axenrod, T., Pregosin, P. S., and Milne, G. W. A.: Nitrogen-15 magnetic resonance spectroscopy. II. Configurational assignments and intramolecular hydrogen bonding in N-nitroso hydrazines. Tetrahedron Lett.: 51, 5293-5297, 1968.
27. Milne, G.W.A., Goldman, P., and Holtzmann, J. L.: The metabolism of 2-fluorobenzoic acid. II. Studies with oxygen-18. J. Biol. Chem.: 243, 5374-5376, 1968.
28. Steinberg, D., Avigan, J., Mize, C.E., Herndon, J.H., Jr., Fales, H. M., and Milne, G. W. A.: The nature of the metabolic defect in Refsum's disease. Path. Europ.: 3, 450-458, 1968.
29. Klayman, D.L., and Milne, G.W.A.: 2-amino--2-thiazoline VI. The formation of a thiazolo-s-triazine from 2-amino -2-thiazoline. Tetrahedron: 25, 191-198, 1969.
30. Axenrod, T., Wieder, M. J., and Milne, G. W. A.: Nitrogen-15 magnetic resonance spectroscopy. III. Configurational assignments in N-nitrosohydroxylamines. Tetrahedron Lett.: 52, 401-405, 1969.
31. Baxter, J. H., and Milne, G. W.A.: Phytenic acid: Identification of five isomers in chemical and biological products of phytol. Biochim. Biophys. Acta: 176, 265-267, 1969.
32. Axenrod, T., Wieder, M. J., and Milne, G. W. A.: Nitrogen-15 magnetic resonance spectroscopy. IV. Configurational assignments in alkyl nitrites. Tetrahedron Lett.: 18, 1397-1400, 1969.
33. Mize, C.E., Avigan, J., Steinberg, D., Pittman, R. C., Fales, H.M., and Milne, G.W.A.: A major pathway for the mammalian oxidative degradation of phytanic acid. Biochim. Biophys. Acta: 176, 720-739, 1969.
34. Mize, C.E., Herndon, J.H., Blass, J.P., Milne, G. W. A., Follansbee, C., and Laudat, P.: Localization of the oxidative defect in phytanic acid degradation in patients with Refsum's disease. J. Clin. Invest.: 48, 1017-1040, 1969.
35. Axenrod, T., Pregosin, P.S., Wieder, M.J., and Milne, G. W. A.: Nitrogen-15 magnetic resonance spectroscopy. A correlation of the 15N-H coupling constants in aniline derivatives with Hammett sigma constants. J. Amer. Chem. Soc.: 91, 3681-3682, 1969.
36. Fales, H.M., Milne, G. W. A., and Vestal, M.L.: Chemical ionization mass spectrometry of complex molecules. J. Amer. Chem. Soc.: 91, 3682-3685, 1969.
37. Bulusu, S., Axenrod, T., and Milne, G.W.A.: Electron-impact fragmentation of some aliphatic nitramines. Migration of the nitro group in heterocyclic nitramines. Org. Mass Spec
3, 13-21, 1970.
38. Milne, G.W.A., Kiryushkin, A. A., Alakhov, Yu. A., Lipkin, V.M., and Ovchinnikov, Yu. A.: Intermolecular alkylation reactions in the mass spectrometry of peptide derivatives. Tetrahedron: 26, 299-304, 1970.
39. Fales, H.M., Lloyd, H. A., and Milne, G.W.A.: Chemical ionization mass spectrometry of complex molecules. II. Alkaloids. J. Amer. Chem. Soc.: 92, 1590-1597, 1970.
40. Ziffer, H., Fales, H.M., Milne, G.W.A., and Field, F. H.: Chemical ionization mass spectrometry of complex molecules. III. The structure of the photodimers of ,-unsaturated ketones. J. Amer. Chem. Soc.: 92, 1597-1600, 1970.
41. Alakhov, Yu. B., Kiryushkin, A.A., Lipkin, V. M., and Milne, G.W.A.: Butylation of the tryptophan indole ring: A side reaction during the removal of t-butyloxycarbonyl and t-butyl protecting groups in peptide synthesis. Chem. Comm.: 406-407, 1970.
42. Milne, G.W.A.: High resolution mass spectrometry in organic chemistry. Usp. Khim.: 39, 190-207, 1970. (In Russian).
43. Milne, G.W.A., Axenrod, T., and Fales, H. M.: Chemical ionization mass spectrometry of complex molecules. IV. Amino acids. J. Amer. Chem. Soc.: 92, 5170-5175, 1970.
44. Levin, I.W., Axenrod, T., and Milne, G. W. A.: Raman and infrared spectra of dimethylnitrosamine. J. Phys. Chem.: 53, 2505-2512, 1970.
45. Fales, H. M., Milne, G. W. A., and Axenrod, T.: Identification of barbiturates by chemical ionization mass spectrometry. Anal. Chem.: 42, 1432-1435, 1970.
46. Kiryushkin, A.A., Fales, H.M., Axenrod, T., Gilbert, E. J., and Milne, G. W. A.: Chemical ionization mass spectrometry of complex molecules. VI. Peptides. Org. Mass Spec.: 5, 19-31, 1971.
47. Milne, G.W. A.: The application of mass spectrometry to problems in medicine and biochemistry. In, Milne, G.W.A. (Ed.): Mass spectrometry, 1970. Wiley Interscience, New York, N. Y., November, 1971, pp.327-371.
48. Law, N.C., Aandahl, V.A., Fales, H.M., and Milne, G. W. A.: Identification of dangerous drugs by mass spectrometry. Clin. Chim. Acta: 32, 221-228, 1971.
49. Axenrod, T., Pregosin, P.S., Wieder, M. J., Becker, E. D., Bradley, R.B., and Milne, G.W.A.: Nitrogen-15 nuclear magnetic resonance spectrocopy. Substituent effects on N15-H coupling constants and nitrogen chemical shifts in aniline derivatives. J. Amer. Chem. Soc.: 93, 6536-6541, 1971.
50. Fales, H.M., Nagai, Y., Milne, G.W.A., Brewer, H.B., Jr., Bronzert, T.J., and Pisano, J.J.: Use of chemical ionization mass spectrometry in analysis of phenylthiohydantoin derivatives formed during Edman degradation of proteins. Anal. Biochem.: 43, 288-299, 1971.
51. Fales, H. M., Milne, G. W. A., and Nicholson, R. S.: Chemical ionization mass spectrometry of complex molecules. VIII. Esters of di- and tricarboxylic acids. Anal. Chem.: 43, 1785-1789, 1971.
52. Milne, G. W. A., Fales, H. M., and Axenrod, T.: Identification of dangerous drugs by chemical ionization mass spectrometry. Anal. Chem.: 43, 1815-1820, 1971.
53. Beggs, D., Fales, H.M., Milne, G.W.A., and Vestal, M. L.: A chemical ionization mass spectrometer source. Rev. Sci. Inst.: 42, 1578-1584, 1971.
54. Law, N. C., Fales, H. M., and Milne, G. W. A.: Identification of drugs taken in overdose cases. Clin. Tox.: 5, 17-26, 1972.
55. Fales, H.M., Milne, G.W.A., Pisano, J.J., Brewer, H. B., Jr., Blum, M.S., MacConnell, J.G., Brand, J., and Law, N. C.: Biological applications of electron ionization and chemical ionization mass spectrometry. Rec. Progr. Horm. Res.: 28, 596-626, 1972.
56. Weisgraber, K., Weiss, U., Milne, G.W.A., and Silverton, J.V.: Hexamethyl ether of leuco-thelephoric acid from corticium caeruleum. Phytochem.: 11, 2585-2587, 1972.
57. Maxwell, T., Milne, G.W.A., and Fales, H. M.: Plasticizers in blood - real or artifactual? Env. Health Pers.: 139-140, 1973
58. Heller, S.R., Fales, H. M., and Milne, G. W. A.: A conversational mass spectral search and retrieval system. II. Combined search options. Org. Mass Spec.: 7, 107-115, 1973.
59. Heller, S.R., Fales, H. M., and Milne, G. W. A.: An interactive mass spectral search system. J. Chem. Ed.: 49, 725, 1973.
60. Ting, K.L.H., Lee, R.C. T., Milne, G.W.A., Shapiro, M., and Guarino, A.M.: Applications of artificial intelligence: Relationships between mass spectra and pharmacological activity of drugs. Science: 180, 417-420, 1973.
61. Silverton, J.V., Milne, G.W.A., Eaton, P. E., Nyi, K., and Temme, G.H., III.: Structures of the [n,2,2]-propellanes. I. 2-hydroxy[4,2,2]propellane p-nitrobenzoate. J. Amer. Chem. Soc.: 96, 7429-7432, 1974.
62. Milne, G.W.A., Fales, H. M., and Colburn, R. W.: Chemical ionization mass spectrometry of complex molecules: Biogenic amines. Anal.Chem.: 45, 1952-1954, 1973.
63. Longevialle, P., Milne, G. W. A., and Fales, H. M.: Chemical ionization mass spectrometry of complex molecules.XI. Stereochemical and conformational effects in the isobutane chemical ionization mass spectrometry of some steroidal amino alcohols. J. Amer. Chem. Soc.: 95, 6666-6669, 1973.
64. Heller, S.R., Koniver, D.A., Fales, H.M., and Milne, G. W.A.: A conversational mass spectral search system. III. Display and plotting of spectra and dissimilarity comparison. Anal Chem.: 46, 947-950, 1974.
65. Heller, S.R., Feldmann, R.J., Fales, H.M., and Milne, G.W.A.: A conversational mass spectral search system. IV. The evolution of a system for the retrieval of mass spectral information. J. Chem. Doc.: 13, 130-133, 1973.
66. Schier, G. M., Halpern, B., and Milne, G. W. A.: Characterization of dipeptides by electron impact and chemical ionization mass spectrometry. Biomed. Mass Spec.: 1, 212-218, 1974.
67. Milne, G. W. A., and Lacey, M. J.: Modern Ionization Techniques in mass spectrometry. Crit. Rev. Anal. Chem.: 4, 45-104, 1974.
68. Kim, S.J., Kwon-Chung, K.J., Milne, G. W. A., and Prescott, B.: Polyene-resistant mutants of aspergillus fennelliae: Characterization of sterols. Antimicrob. Agents and Chemother.: 6, 405-410, 1975.
69. Fales, H.M., Milne, G.W.A., Winkler, H. U., Beckey, H. D., Damico, J.N., and Barron, R.: Comparison of mass spectra of some biologically important compounds as obtained by various ionization techniques. Anal. Chem.: 47, 207-219, 1975.
70. Kim, S.J., Kwon-Chung, K.J., Milne, G.W.A., Hill, W. B., and Patterson, G.: Relationship between polyene resistance and sterol compositions in cryptococcus neoformans. Antimicrobial Agents and Chemother.: 7, 99-106, 1975.
71. Heller, S.R., Fales, H.M., Milne, G.W.A., Feldmann, R. J., Daly, N. R., Maxwell, D. C., and McCormick, A.: An experimental international conversational mass spectral search system. Adv. Mass Spec.: 6, 1037-1042, 1975.
72. Feldmann, R. J., Milne, G. W. A., and Heller, S. R.: Crystallographic data retrieval and display: Projection of information system development. Trans. of the Amer. Cryst. Assoc.: 12, 75-83, 1976.
73. Shaw, G.J., Wright, G. J., and Milne, G. W. A.: The synthesis of ,,,-tetradeuteroserotonin. Biomed. Mass Spec.: 3, 146-148, 1976.
74. Shaw, G. J., and Milne, G. W. A.: Synthesis and Properties of dodecane-1,12-13C2 and dodecane-1,1,1,12,12,12-2H6. J. Lab. Compds. and Radiopharm.: 12, 557-563, 1976.
75. Daniels, P.J.L., Mallams, A.K., Weinstein, J., Wright, J. J., and Milne, G.W. A.: Mass spectral studies on aminocyclitol-aminoglycoside antibiotics. J. Chem.Soc. Perkin I: 1078-1088, 1976.
76. Heller, R.S., Milne, G.W.A., Feldmann, R. J., and Heller, S.R.: An international mass spectral search system (MSSS). V. A status report. J. Chem. Inf. and Comp. Sci.: 16, 176-178, 1976.
77. Milne, G.W.A., and Heller, S.R.: The MSDC/EPA/NIH mass spectral search system. Amer. Lab.: 8, 43-54, 1976.
78. Heller, S.R., Milne, G.W.A., and Feldmann, R.J.: Quality control of chemical data bases. J. Chem. Inf. and Comp. Sci.: 16, 232-233, 1976.
79. Shaw, G.J., Wright, G. J., and Milne, G. W.A.: Synthesis and mass spectra of some specifically deuterated tryptamines. Biomed. Mass Spec.: 4, 348, 1977.
80. Borchers, F., Levsen, K., and Milne, G. W. A.: Kinetic investigations of hydrogen rearrangements in aliphatic and aromatic esters. Adv. Mass Spec.: 7A, 162-170, 1977.
81. Heller, S.R., Milne, G.W.A., and Feldmann, R.J.: A computer-based chemical information system. Science: 195, 253-259, 1977.
82. Heller, S.R., Heller, R.S., McCormick, A., Maxwell, D. C., and Milne, G. W. A.: Progress of the MSDC-NIH-EPA Mass Spectral Search System. Adv. Mass Spec.: 7B, 985-8, 1977.
83. Levsen, K., Heimbach, H., Shaw, G.J., and Milne, G.W.A.: Isomerization of hydrocarbon ions. VIII. The electron-impact induced decomposition of n-dodecane. Org. Mass Spec.: 12, 663-670, 1977.
84. Vinton, V.A., Milne, G. W. A., and Heller, S.R.: An on-line search system for the mass spectrometry literature. Analytica Chimica Acta: 95, 41-49, 1977.
85. Feldmann, R.J., Milne, G.W.A., Heller, S. R., Fein, A., Miller, J.A., and Koch, B.: An interactive substructure search system. J. Chem. Inf. and Comp. Sci.: 17, 157-163, 1977.
86. Dalrymple, D.L., Milne, G. W. A., Wilkins, C.L., and Heller, S. R.: A 13C NMR data base and search system. Org. Mag. Res.: 11, 535-540, 1978.
87. Milne, G.W.A., and Heller, S. R.: The NIH-EPA Chemical Information System. Ch. 3 (pp.26-45) in 'Computer-Assisted Structure Elucidation', Ed. D. Smith, American Chemical Society Symposium Series, Washington, DC 1977.
88. Milne, G. W. A., Fales, H. M., and Law, N. C.: The Use of Mass Spectrometry for Drug
Identification. In "Instrumental Applications in Forensic Drug Chemistry" (Eds. M. Klein, A.V. Krueghel and S. P. Sobol). U.S. Govt.Printing Office, Washington, DC, 20402. Stock Number 027-000-00770-8 (1978).
89. Zupan.J., Heller, S.R., and Milne, G.W.A.: Three-Dimensional Representation of CNMR Spectra. Bull. Slovenian Chem. Soc., 25, 37-49, 1978.
90. Zupan, J., Heller, S.R., Milne, G.W.A., and Miller, J. A.: A Substructure Oriented 13C NMR Chemical Shift Retrieval System. Anal. Chimica Acta: 103, 141-149, 1978.
91. Milne, G.W.A., Zupan, J., Heller, S.R., and Miller, J. A.: Spectra-Structure Relationships in Carbon-13 Nuclear Magnetic Resonance Spectroscopy. Results from a Large Data Base. Org. Mag. Res., 12, 289-296, 1979.
92. Heller, S.R., Milne, G.W.A., and Feldmann, R.J.: The Mass Spectral Search System. Proceedings of the Fifth Biennial International CODATA Conference, Pergamon Press, New York, 1977, p. 549.
93. Heller, S.R., Milne, G. W.A., and Feldmann, R.J.: A Computer-Based Chemical Information System. Proceedings of the Third International Conference on Computer Research, Education and Technology, Caracas. Eds. E. Ludena and F. Brito. Pages 153-158, 1978.
94. Heller, S. R., and Milne, G.W.A.: The NIH-EPA Chemical Information System. Ch. 10 (pp.144-167) in ACS Symposium #84 (Eds. M. Milne and J. Howe). American Chemical Society, Washington, DC, 1978.
95. Heller, S.R., and Milne, G.W.A.: The NIH-EPA Chemical Information System in Support of TSCA Monitoring Activities. Ch. 16 (pp. 255-280) in ACS Symposium #94 (Ed. D. Schuetzle). American Chemical Society, Washington, DC, 1978.
96. McGill, J.R., Heller, S. R., and Milne, G.W.A.: A Computer-Based Toxicology Search System. J. Env. Path. & Tox., 2, 539-551, 1978.
97. Milne, G.W.A., Heller, S.R., Fein, A.E., Frees, E. F., Marquart, R. G., McGill, J.A., Miller, J. A., and Spiers, D.S.: The NIH-EPA Structure and Nomenclature Search System. J. Chem. Inf. & Comp. Sci., 18, 181-186, 1978.
98. Marquart, R.G., Katsnelson, I, Milne, G.W.A., Heller, S. R., Johnson, G. G., and Jenkins, R.: A Search-Match System for X-Ray Powder Diffraction Data. J. Appl. Cryst., 12, 629-634, (1979).
99. Heller, S.R., and Milne, G. W. A.: The NIH-EPA Chemical Information System in Support of TSCA Monitoring Activities. Env. Sci. & Tech., 13, 798-803, 1979.
100. Heller, S.R., Milne, G.W.A., and Feldmann, R.J.: The Mass Spectral Search System, Proceedings of the 6th International CODATA Conference, pp.549-552, ed.B. Dreyfus, Pergamon Press 1977.
101. Meisel, W., Jolley, M., Heller, S.R., and Milne, G.W.A.: The Role of Pattern Recognition in the Computer-Aided Interpretation of Mass Spectra. Anal. Chim. Acta, 112, 407-416, (1979).
102. Hopfinger, A.J., Potenzone, R., Pearlstein, R., Kikuchi, O., Shapiro, M., Milne, G.W.A., and Heller, S. R.: Structure-Activity Analyses in the Classification of Toxic Chemicals. Proc. Symp. on Safe Handling of Chemical Carcinogens, Ann Arbor Press, Ann Arbor, MI, 2, 385-409, (1979).
103. Heller, S.R., and Milne, G. W. A.: The NIH-EPA Chemical Information System. Database, 2, 69-79, 1979.
104. Shaw, G.J., Milne, G. W. A., and Minghetti, A.: Propionate Precursors in the Biosynthesis of Daunomycin and Adriamycin. A 13C Nuclear Magnetic Resonance Study. Phytochemistry, 18, 178-179, (1979).
105. Heller, S. R., and Milne, G. W. A.: The NIH-EPA Chemical Information System in support of structure elucidation. Vestn. Slov. Kem. Drug., 26, 37-42, (1979).
106. Heller, S.R., and Milne, G.W.A.: Linking Scientific Data Bases - The NIH-EPA Chemical Information System. Database, 3, 45-57, (1980).
107. Marquart, R.G., Marquart, L., Mintz, S., McGill, J. R., McDaniel, J., Heller, S. R., and Milne, G.W.A.: A Federal Register Notices Search System. Online, 4, 45-49, (1980).
108. Fisk, C.L., Milne, G.W.A., and Heller, S. R.: The Status of Infrared Databases. J. Chromat., 17, 441-444, 1979.
109. Milne, G.W.A., Heller, S. R., Heller, R. S., and Martinsen, D. P.: The NIH-EPA Chemical Information System. Adv. Mass Spec., 8B, 1578-1581, (1980).
110. Heller, S.R., and Milne, G. W. A.: The NIH-EPA Chemical Information System in support of Structure Elucidation. Anal. Chim. Acta, 122, 117-138, (1980).
111. Milne, G. W. A., and Heller, S. R.: The NIH-EPA Chemical Information System. J. Chem. Inf. & Comp. Sci., 20, 204-211, (1980).
112. Heller, S. R., and Milne, G. W.A.: Online Spectroscopic Data Bases. Amer. Lab.: 12, 33-48, (1980).
113. Dillard, J. G., Heller, S. R., McLafferty, F. W., Milne, G. W. A., and Venkataraghavan, R.: Critical Evaluation of Class II and Class III Electron Impact Mass Spectra. Operating Parameters and Reporting Mass Spectra. Org. Mass Spectrom.: 16, 48-49, (1981).
114. Norton, J. A., Shamberger, R., Stein, T. P., Milne, G. W. A., and Brennan, M.: The Influence of Tumor-Bearing on Protein Metabolism in the Rat. J. Surg. Res.: 30, 456-462, (1981).
115. Heller, S. R., and Milne, G. W. A.: The NIH-EPA Chemical Information System. CODATA Bulletin, 40, 41-44, (1981).
116. Heller, S. R., Potenzone, R., Milne, G. W. A., and Fisk, C. L.: Computers in Analytical Chemistry. Trends in Analytical Chemistry, 1, 41-45, (1981).
117. Milne, G. W. A., The Use of Computers in Chemical Structure Determination. Chapter 6 in "Natural Products as Medicinal Agents" (Eds. J. A.Beal and E. Reinhard), Hippokrates Verlag, Stuttgart, Germany (1981).
118. Milne, G. W. A., Fisk, C. L., Heller, S. R., and Potenzone, R.: Environmental Uses of the NIH-EPA Chemical Information System. Science, 215, 371-375, (1982).
119. Pearlstein, R. A., Malhotra, D., Harr, R., Orchard, B.J., Tripathy, S. K., Hopfinger, A. J., Potenzone, R., Heller, S. R., and Milne, G. W. A.: A New Molecular Modelling Software Package: The Chemical Modelling Laboratory (CHEMLAB). Computers in Chemistry, in Press (1982).
120. Milne, G. W. A., Budde, W. L., Heller, S. R., Martinsen, D. P., and Oldham, R.G., Quality Control and Evaluation of Mass Spectra. Org. Mass Spectrom., 17, 547-552, (1982).
121 Milne, G. W.A., Development of a Chemical Information System. J. Assoc. Official Analyt. Chemists, 65, 1249-1258, (1982).
122. Milne, G. W. A.: Chemical Information Systems. Proceedings of the 6th.International Conference on Computers in Chemical Research and Education, (Eds. Heller, S.R.and
Potenzone, R.). Elsevier, Amsterdam (1982), pp.45-60.
123. Milne, G. W. A., A Computer System for Use in the Review of Old Drugs. Med. Pediatr. Oncol., 11, 519A-529B, (1983).
124. Heller, S. R., Budde, W. L., Martinsen, D. P., and Milne, G. W. A.: The NIH/EPA Mass Spectral Data Base and Search System. Int. J. Mass Spec. & Ion Phys., 47, 313-316, (1983).
125. Milne, G. W. A., and Miller, J. A. The NCI Drug Information System. I. System Overview. J. Chem. Inf. & Comp. Sci., 26, 154-159, (1986).
126. Milne, G. W. A., Feldman, Alfred, Miller, J. A., Daly, G. P. and Hammel, M. J.: The NCI Drug Information System. II. The DIS Pre-Registry. J. Chem. Inf. & Comp. Sci., 26, 159-168, (1986).
127. Milne, G. W. A., Feldman, Alfred, Miller, J.A. and Daly, G. P. The NCI Drug Information System. III. The DIS Chemistry Module. J. Chem. Inf. & Comp. Sci., 26, 168-179, (1986)
128. Milne, G. W. A., Miller, J. A. and Hoover, J. R.: The NCI Drug Information System. IV. Inventory and Shipping Modules. J. Chem. Inf. & Comp. Sci., 26, 179-185, (1986).
129. Zehnacker, M. T., Brennan, R.H., Milne, G. W. A., and Miller, J. A.: The NCI Drug Information System. V. The DIS Biology Module. J. Chem. Inf. & Comp. Sci., 26, 186-193, (1986).
130. Zehnacker, M. T., Brennan, R. H., Milne, G. W. A., Miller, J.A. and Hammel, M. J.: The NCI Drug Information System. VI. System Maintenance. J. Chem. Inf. & Comp. Sci., 26, 193-197, (1986).
131. Quinn, F. R. And Milne, G. W. A.: Toxicities Derived from Antitumor Screening Data. Fund. App. Tox., 6, 270-277, (1986).
132. Milne, G. W. A.: A Data Base System That Relies Heavily on Graphics. Ch. 10 (pp.102-119) in ACS Symposium #341 (Ed. W. Warr). American Chemical Society, Washington, DC, 1987.
133. Milne, G. W. A., Driscoll, J. S. and Marquez, V. E.: Molecular Modelling in Drug Design. Proc. Montreux Intnl. Chem. Inf. Conf., 1, 19-40, (1989).138. Tseng, Christopher K.-H., Marquez, V. E., Milne, G. W. A., Mitsuya, H., Shirasaki, T., Wysocki, R. J. and Driscoll, J. S.: A Ring-Enlarged Oxetanocin A Analogues as an Inhibitor of HIV Infectivity. J. Med. Chem.: 34, 343-349, (1991).
134. Milne, G. W. A.: Generic Formulation of Chemical Composition. World Patent Info.: 13,76-80, (1991).
135. Milne, G. W. A.: Very Broad Markush Claims; A Solution or a Problem? J. Chem. Inf. & Comp. Sci., 31, 9-30, (1991).
136. Milne, G. W. A. and Willett, P.: A Tribute to Michael F. Lynch. J. Chem. Inf. & Comp. Sci., 31, 175, (1991).
137. Milne, G. W. A.: About Computers (Guest Editorial). ChemTech, 21, 648, (1991).
138. Héthelyi, E., Milne, G. W. A., Podányi, B., Koczka, I., Neszmélyi, A.: Composition of the Essential Oil of Clone 409 of Tanacetum vulgare 2D NMR Investigation of trans-Chrysanthenyl Acetate. J. Essential Oils, 4, 243-250, (1992).
139. Teng. Kelley, Marquez, V. M., Milne, G. W. A., Barchi, J. J., Kasanietz, M. G., Lewin, N. E., Blumberg, P., Abushanab, E.: Conformationally Constrained Analogues of Diacyl Glycerol. Interaction of -Lactones with the Phorbol Ester Receptor of Protein Kinase C. J. Amer. Chem. Soc., 114, 1059-1070, (1992).
140. Milne, G. W. A. and Nicklaus, M. C.: Use of Computer Graphics in Drug Design. In "Medications, - Drug Discovery, Databases and Computer-Aided Drug Design". National Institute for Drug Abuse, ADAMHA, Washington, DC. (1992).
141. Dias, J. R. and Milne, G. W. A.: Chemical Applications of Graph Theory. J. Chem. Inf. & Comp. Sci., 32, 1, (1992).
142. Milne, G. W. A.: DrawPerfect and CorelDraw. Software Review. J. Chem. Inf. & Comp. Sci., 32, 570, (1992).
143. Hendrickson, M., Nicklaus, M. C., Zaharevitz, D. W. and Milne, G. W. A. CONCORD and CAMBRIDGEComparison of Modeled Structures with X-Ray Data. J. Chem. Inf. & Comp. Sci., 32, 155-163, (1992).
144. Nicklaus, M. C., Milne, G. W. A. and Burke Jr., T. R. QSAR of Conformationally Flexible Molecules: Comparative Molecular Field Analysis of Protein-Tyrosine Kinase Inhibitors. J. Comp. Aided Mol. Des., 6, 487-504, (1992).
145. Milne, G. W. A., Nicklaus, M. C. and Hodošek, M. Molecular Modeling in Solvent. J. Mol. Struct., 291, 89-103, (1993).
146. Nicklaus, M. C., Milne, G. W. A., and Zaharevitz, D. Chem-X and Cambridge. Comparison of Computer-Generated Chemnical Structures with X-Ray Crystallographic Data. J. Chem. Inf. Comp. Sci., 33, 639-646, (1993)
147. Wang. S., Milne, G. W. A. Applications of Computers to Toxicological Research. Chem. Res. Tox., 6, 748-753 (1993)
148. Sharma, R., Marquez, V. E., Milne, G. W. A., Lewin, N. E., Blumberg, P. Conformationally Constrained Analogues of Diacylglycerol. 5. 2,5-Dideoxy-3-O-tetradecaloyl-D-galactono-1,4-lactone: A Superior Homologue of 3-O-tetradecanoyl-2-deoxy-L-ribonolactone with PK-C Binding Affinity. Bioorg. & Med. Chem. Lett., 3, 1993-1998, (1993)
149. Wang, S., Milne, G. W. A., Nicklaus, M. C., Marquez, V. M., Lee, J., Blumberg, P. M. Protein Kinase C. Modeling of the Binding Site and Prediction of Binding Constants. J. Med. Chem., 37, 1326-1338, (1994)
150. Wang, S., Zaharevitz, D. W., Sharma, R., Marquez, V., Lewin, N. E., Du L., Blumberg, P. M. and Milne, G. W. A., The Discovery of Novel, Structurally Diverse PK-C Agonists through Computer 3D-Database Search. Molecular Modeling Studies. J. Med. Chem., 37, 4479-4489, (1994).
151. Yan, Xinjian, Wang, Shaomeng, Hodošek, Milan, Milne, G. W. A. Prediction of Geometries and Interaction Energies of Complexes Formed by Small Molecules Using Semi-empirical and ab inito methods. J. Mol. Struct., 309, 279-294, (1994).
152. Milne, G. W. A., Wang, S., Zaharevitz, D., Driscoll, J. S. The NCI Drug Information System 3D Database. J. Chem. Inf. Comput. Sci., 34, 1219-1224, (1994).
153. Wang, Shaomeng, Milne, G. W. A., Klopman, G. Graph Theory and Group Contributions in the Estimation of Boiling Points of Organic Compounds. J. Chem. Inf. Comp. Sci., 34, 1241-1250, (1994).
154. Nicklaus, M. C., Wang, Shaomeng, Driscoll, J. S. Milne, G. W. A. Conformational Changes of Small Molecules Binding to Proteins. Bioorg. Med. Chem., 3, 411-428, (1994).
155. Milne, G. W. A. Trends in Chemical Information. Proc. Annecy Intnl. Chem. Inf. Conf., 6, 6-17, (1994).
156. Nicklaus, M. C., Ford Jr., H., Hegedus, L., Milne, G. W. A. and Kelly, J. A. Comparative Molecular Field Analysis of Hydrophobicity Descriptors of Cytosine Nucelosides. Quan. Str. Act. Rel., 14, 335-343, (1995).
157. Acs, Geza, Marquez, V. E., Wang, Shaomeng, Milne, G. W. A., Lewin, N., Blumberg, P. M. Resiniferotoxin-Amide and Analogs as Ligands for Protein Kinase C and Vanilloid Receptors and Determination of Their Biological Activities as Vanilloids. J. Neurochem., 65, 301-308, (1995).
158. Milne, G. W. A. The Visual Display of Quantitative Information; Envisioning Information. Book Review. J. Chem. Inf. Comput. Sci., 35, 655-656, (1995).
159. Sharma, R., Lee, J., Wang, S., Milne, G. W. A., Lewin, N. E., Blumberg, P. M., Marquez, V. E. Conformationally Constrained Analogues of Diacylglycerol. 10. Ultrapotent Protein Kinase C (PK-C) Ligands Based on a Racemic 5-Disubstituted Tetrahydro-2-Furanone Template. J. Med.Chem. 39, 19-28, (1995).
160. Lee, J., Wang, S., Milne, G. W. A., Sharma, R., Lewin, N. E., Blumberg, P. M., Marquez, V. E. Conformationally Constrained Analogues of Diacylglycerol. 11. Ultrapotent Protein Kinase C (PK-C) Ligands Based on a Chiral 5-Disubstituted Tetrahydro-2-Furanone Template. J. Med. Chem. 39, 29-35, (1995).
161. Lee, J., Sharma, R., Wang, S., Milne, G. W. A., Lewin, N. E., Szallazi, Z., Blumberg, P. M., George, C., Marquez, V. E. Conformationally Constrained Analogues of Diacylglycerol. 10. Ultrapotent Protein Kinase C (PK-C) Ligands Based on a Chiral 4-Substituted Heptono-1,4-Lactone Template. J. Med. Chem. 39, 36-45, (1995).
162. Wang, Shaomeng, Milne, G. W. A., Yan, Xinjian, Posey, Isadora, Nicklaus, M. C., Graham, Lisa and Rice, William G. Discovery of Novel, Non-Peptide HIV-1 Protease Inhibitors by Pharmacophore Searching. J. Med. Chem., 40, 2047-2054, (1996).
163. Mazumder, Abhijit, Wang, Shaomeng, Neamati, Nouri, Nicklaus, Marc, Sunder, Sanjay, Chen, Julie, Milne, George W. A., Rice, William G., Pommier, Yves. Antiretroviral Agents as Inhibitors of Both Human Immunodeficiency Virus Type 1 Integrase and Protease. J. Med. Chem., 40, 2472-2481, (1996).
164. Wang, Shaomeng, Kazanietz, Marcelo G., Blumberg, Peter M., Marquez, Vicxtor E., Milne, G. W. A. Molecular Modeling and Site-Directed Mutagenesis Studies on the Phorbol Ester Binding Site in Protein Kinase C. J. Med. Chem., 40, 2541-2553, (1996).
165. Milne, G. W. A., Wang, Shaomeng, Nicklaus, M. C. Molecular Modeling in the Discovery of Lead Drugs. J. Chem. Inf. Comput. Sci., 36, 726-730, (1996).
166. Milne, G. W. A., Wang, Shaomeng, Fung, V. Use of Computers in Toxicology and Chemical Design. In Use of Computers in Toxicology and Chemical Design. ACS Symposium Series #640, pp. 138-155, ACS, Washington, DC (1996).
167. Yan, X., Hollis, T., Svinth, M., Day, P., Monzingo, A. F., Milne, G. W. A., Robertus, J. D. Structure-Based Identification of a Ricin Inhibitor. J. Mol. Biol., 266, 1043-1049, (1997).
168. Yan, X., Day, P., Hollis, T., Monzingo, A. F., Schelp, E., Robertus, J. D., Wang, S., Milne, G. W. A. Recognition and Interaction of Small Rings with the Ricin A Chain Binding Site. Proteins, 31, 33-41, (1998).
169. Zhao, H., Neamati, N., Hong, H., Mazumder, A., Wang, S., Sunder, S., Milne, G. W. A., Pommier, Y., Burke Jr., T. R. Coumarin-Based Inhibitors of HIV Integrase. J. Med. Chem., 40, 242-249, (1997)
170. Hong, H., Neamati, N., Wang. S., Nicklaus, M. Mazumder, A., Pommier, Y., Burke, T. R., Zhao, H., Milne, G. W. A. Discovery of Human Immunodeficiency Virus Type 1 Integrase Inhibitors by Pharmacophore Searching. J. Med. Chem., 40, 930-936, (1997).
171. Nicklaus, M. C., Neamati, N., Hong, H., Mazumder, A., Sunder, S., Chen, J., Milne, G.
W. A., Pommier, Y. HIV-1 Integrase Pharmacophore: Discovery of Inhibitors Through 3D Database Searching. J. Med. Chem., 40, 920-929, (1997).
172. Zhao, H., Neamati, N., Hong, H., Milne, G. W. A., Pommier, Y., Burke Jr., T. R. Hydrazide-Containing Inhibitors of HIV-1 Integrase. J. Med. Chem., 40, 937-941, (1997).
173. Neamati, N., Hong, H., Mazumder, A., Wang, S., Sunder, S., Milne, G. W. A., Proksa, B., Pommier, Y. Depsides and Depsidones as Inhibitors of HIV-1 Integrase: Discovery of Novel Inhibitors Through 3D Database Searching. J. Med. Chem., 40, 942-951, (1997).
174. Milne, G. W. A. Mathematics as a Basis for Chemistry. J. Chem. Inf. Comput. Sci., 37, 639-644, (1997).
175. Milne, G. W. A. , Nicklaus, M. C, Wang, S. Pharmacophores in Drug Design and Discovery. In: SAR QSAR Environ. Res., 9, 23-38, (1998).
176 Neamati, N., Hong, H., Sunder, S., Milne, G. W. A., Pommier, Y. Potent Inhibitors of Human Immunodeficiency Virus Type I Integrase: Identification of a Novel Four-Point Pharmacophore andTetracyclines as Novel Inhibitors. Mol. Pharm., 52, 1041-1055, (1997).
177. Hong, H., Milne, G. W. A., Nicklaus, M. C. HIV-1 Integrase Pharmacophore Identification. J. Chem. Inf. Comp. Sci., submitted (7/30/97).
178. Milne, G. W. A. Pharmacophores and Drug Discovery. Encyclopedia of Computational Chemistry, Schleyer, P. v. R., Editor, in press (1998).
179 Drake, R. R., Neamati, N., Hong, H., Pilon, A. A., Sunthankar, P., Hume, S. D. , Milne, G. W. A., Pommier, Y. Identification of a Nucleotide Binding Site in HIV-1 Integrase. Proc. Natl. Acad. Sci. U.S.A., 95, 4170-4175, (1998).
180. Neamati, N, Hong, H., Owen, J. M., Sunder, S., Winslow, H., Zhao, H., Burke Jr., T. R.; Milne, G. W. A., Pommier, Y. Salicyl-Hydrazine Containing Inhibitors of HIV-1 Integrase: Implication for a Selective Chelation in the Integrase Active Site. J. Med. Chem. 41, 3202-3209, (1998).
181. Hong, H., Neamati, N., Winslow H. E., Christensen, J. L., Orr, A., Pommier, Y., Milne, G. W. A. Identification of HIV-1 Integrase Inhibitors Based on a Four Point Pharmacophore.
Antivir. Chem. Chemother., 9, 461-472, (1998).
182. Burke, T. R., Yao, S. J., Zhao, H., Milne, G. W. A., Wu, L., Zhang, Z. Y., Voigt, J. H. Tetrahedron, 54, 9981-9994, (1998).
183. Yao, Z. J., King, C. R., Cao, T., Kelley, J., Milne, G. W. A., Voigt, J. H., Burke Jr., T. R. Potent Inhibition of Grb2 SH2 Domain Binding by Non-Phosphate-Containing Ligands. J. Med. Chem., 42, 25-35, (1999).
184. Burke Jr., T. R., Luo, J., Yao, Z. J., Gao, Y., Zhao, H., Milne, G. W. A., Guo, R., Voigt, J. H., King, C. R., Yang D. Bioorg. Med. Chem. Lett., 9, 347-352, (1999).
185. Marquez, V. E., Nacro, K., Benzaria, S., Lee, J., Sharma, R., Teng, K., Milne, G. W. A., Bienfait, B., Wang, S. M., Lewin, N. E., Blumberg, P. M. Pharm. & Ther., 82, 251-261, (1999)
186. Marquez, V. E., Lee, J., Sharma, R., Wang, S., Milne, G. W. A., Nicklaus, M. C., Blumberg, P. M., Lewin, N. E. Conformationally Constrained Diacylglycerol Analogs. U. S. Patent 5,874,464. Feb. 23, 1999.
187. Estrada, E., Uriarte, E., Molina, E., Simon-Manso, Y., Milne, G. W. A. An Integrated in Silico Analysis of Drug Binding oi Huam Serum Albumin. J. Chem. Inf. Model., 46, 2709-2724, (2006).
2. Kupchan, S.M., McLean, S., and Milne, G.W.A.: The chemistry of 3,4,7-trisubstituted steroids. J. Org. Chem.: 27, 147-153, 1963.
3. Kupchan, S.M., Slade, P., Young, R.J., and Milne, G. W. A.: Facilitation of alkaline hydrolysis of alicyclic diol, 1,2 diol monoesters. Tetrahedron: 18, 499-506, 1962.
4. Kupchan, S.M., Masamune, T., and Milne, G.W.A.: Steroid Hormone analogs. II. Transforma; tions in the C-nor-D-homosteroid series. J. Org. Chem.: 29, 755-757, 1964.
5. Klayman, D.L., and Milne, G.W.A.: 2-Amino-delta-2-thiazolines from aminoethyl thiosulfates; the mass spectra of 2-amino delta-2-thiazolines and related compounds. J. Org. Chem.: 31, 2349-2356, 1966.
6. Milne, G.W.A., and Plimmer, J.R.: The high-resolution mass spectra of bisbenzyltetrahydroisoquinoline alkaloids. The structure of hayatin. J. Chem. Soc.: 1966-1968, 1966.
7. Avigan, J., Steinberg, D., Gutman, A., Mize, C. E., and Milne, G.W.A.: -Decarboxylation, an important pathway for the degradation of phytanic acid in mammals. Biochem. & Biophys. Res. Commun.: 24, 838, 1966.
8. Goldman, P., and Milne, G. W. A.: Carbon-fluorine bond cleavage. II. Studies on the mechanism of the defluorination of fluoracetate. J. Biol. Chem.: 244, 5557-5559, 1966.
9. Milne, G.W.A., and Cohen, L. A.: The nuclear magnetic resonance and mass spectra of derivatives of cycloserine. Tetrahedron: 23, 65-76, 1967.
10. Goldman, P., Milne, G. W. A., and Pignataro, M.: Fluorine containing metabolites formed from 2-fluorobenzoic acid by Pseudomonas sp. Arch. Biochem. Biophys.: 118, 178-184, 1967.
11. Klayman, D.L., Senning, A., and Milne, G. W. A.: The structure of N-carbamoyl-2-amino--2-thiazoline. Acta Chem. Scand.: 21, 217-223, 1967.
12. Klayman, D.L., Maul, J. J., and Milne, G. W. A.: 2-amino-2-thiazoline. III. The differing behavior of phenyl isothiocyanate and phenyl isocyanate towards 2-amino--2-thiazoline. Tetrahedron Lett.: 3, 281-284, 1967.
13. Avigan, J., Milne, G. W. A., and Highet, R.J.: The occurrence of phytane and pristane in man and animals. Biochem. Biophys. Acta: 144, 127-131, 1967.
14. Steinberg, D., Herndon, J.H., Uhlendorf, B.W., Mize, C. E., Avigan, J. and Milne, G.W.A.: Refsum's disease. Nature of the enzyme defect. Science: 156, 170-173, 1967.
15. Wilchek, M., Spande, T.F., Witkop, B., and Milne, G.W.A.: Chemical conversion of tyrosine to 6-hydroxyindoles. J. Amer. Chem. Soc.: 89, 3349, 1967.
16. Holtzmann, J., Gillette, J.R., and Milne, G.W.A.: The incorporation of oxygen-18 into naphthalene in the enzymatic formation of 1,2-dihydronaphthalene-1,2-diol. J. Biol. Chem.: 242, 4386-4387, 1967.
17. Axenrod, T., and Milne, G.W.A.: Evidence for the intermolecular mechanism in the photoisomerization of N-nitrosodialkyl amines to amidoximes. Tetrahedron Lett.: 45, 4443-4445, 1967.
18. Holtzmann, J., Gillette, J.R., and Milne, G.W.A.: The metabolic products of naphthalene in mammalian systems. J. Amer. Chem. Soc.: 89, 6341, 1967.
19. Axenrod, T., and Milne, G.W.A.: Electron-impact-induced rearrangements of dibenzylnitrosamines. Chem. Commun.: 67-68, 1968.
20. Goldman, P., Milne, G. W. A., and Keister, D. B.: Carbon halogen bond cleavage. III. Studies on bacterial halidohydrolases. J. Biol. Chem.: 243, 248-254, 1968.
21. Milne, G.W.A.: The application of high resolution mass spectrometry to organic chemistry. Quart. Rev.: 22, 75-93, 1968.
22. Wilchek, M., Spande, T.F., Milne, G.W.A., and Witkop, B.: The non-enzymatic conversion of tyrosine to mono- and dihydroxyindoles. Biochemistry: 7, 1777-1786, 1968.
23. Klayman, D.L., Maul, J. J., and Milne, G. W. A.: 2-amino 2-thiazoline. V. Phenylthioureido and phenylureido derivatives of -2-thiazoline. J. Heter. Chem.: 5, 517-522, 1968.
24. Axenrod, T., Pregosin, P. S., and Milne, G. W. A.: Nitrogen-15 magnetic resonance spectroscopy. Configuration of N-nitrosamines. Chem. Commun.: 2, 702-703, 1968.
25. Axenrod, T., and Milne, G. W. A.: Photochemistry of nitrosamines. Mechanism studies. Tetrahedron: 24, 5775-5783, 1968.
26. Axenrod, T., Pregosin, P. S., and Milne, G. W. A.: Nitrogen-15 magnetic resonance spectroscopy. II. Configurational assignments and intramolecular hydrogen bonding in N-nitroso hydrazines. Tetrahedron Lett.: 51, 5293-5297, 1968.
27. Milne, G.W.A., Goldman, P., and Holtzmann, J. L.: The metabolism of 2-fluorobenzoic acid. II. Studies with oxygen-18. J. Biol. Chem.: 243, 5374-5376, 1968.
28. Steinberg, D., Avigan, J., Mize, C.E., Herndon, J.H., Jr., Fales, H. M., and Milne, G. W. A.: The nature of the metabolic defect in Refsum's disease. Path. Europ.: 3, 450-458, 1968.
29. Klayman, D.L., and Milne, G.W.A.: 2-amino--2-thiazoline VI. The formation of a thiazolo-s-triazine from 2-amino -2-thiazoline. Tetrahedron: 25, 191-198, 1969.
30. Axenrod, T., Wieder, M. J., and Milne, G. W. A.: Nitrogen-15 magnetic resonance spectroscopy. III. Configurational assignments in N-nitrosohydroxylamines. Tetrahedron Lett.: 52, 401-405, 1969.
31. Baxter, J. H., and Milne, G. W.A.: Phytenic acid: Identification of five isomers in chemical and biological products of phytol. Biochim. Biophys. Acta: 176, 265-267, 1969.
32. Axenrod, T., Wieder, M. J., and Milne, G. W. A.: Nitrogen-15 magnetic resonance spectroscopy. IV. Configurational assignments in alkyl nitrites. Tetrahedron Lett.: 18, 1397-1400, 1969.
33. Mize, C.E., Avigan, J., Steinberg, D., Pittman, R. C., Fales, H.M., and Milne, G.W.A.: A major pathway for the mammalian oxidative degradation of phytanic acid. Biochim. Biophys. Acta: 176, 720-739, 1969.
34. Mize, C.E., Herndon, J.H., Blass, J.P., Milne, G. W. A., Follansbee, C., and Laudat, P.: Localization of the oxidative defect in phytanic acid degradation in patients with Refsum's disease. J. Clin. Invest.: 48, 1017-1040, 1969.
35. Axenrod, T., Pregosin, P.S., Wieder, M.J., and Milne, G. W. A.: Nitrogen-15 magnetic resonance spectroscopy. A correlation of the 15N-H coupling constants in aniline derivatives with Hammett sigma constants. J. Amer. Chem. Soc.: 91, 3681-3682, 1969.
36. Fales, H.M., Milne, G. W. A., and Vestal, M.L.: Chemical ionization mass spectrometry of complex molecules. J. Amer. Chem. Soc.: 91, 3682-3685, 1969.
37. Bulusu, S., Axenrod, T., and Milne, G.W.A.: Electron-impact fragmentation of some aliphatic nitramines. Migration of the nitro group in heterocyclic nitramines. Org. Mass Spec
3, 13-21, 1970.
38. Milne, G.W.A., Kiryushkin, A. A., Alakhov, Yu. A., Lipkin, V.M., and Ovchinnikov, Yu. A.: Intermolecular alkylation reactions in the mass spectrometry of peptide derivatives. Tetrahedron: 26, 299-304, 1970.
39. Fales, H.M., Lloyd, H. A., and Milne, G.W.A.: Chemical ionization mass spectrometry of complex molecules. II. Alkaloids. J. Amer. Chem. Soc.: 92, 1590-1597, 1970.
40. Ziffer, H., Fales, H.M., Milne, G.W.A., and Field, F. H.: Chemical ionization mass spectrometry of complex molecules. III. The structure of the photodimers of ,-unsaturated ketones. J. Amer. Chem. Soc.: 92, 1597-1600, 1970.
41. Alakhov, Yu. B., Kiryushkin, A.A., Lipkin, V. M., and Milne, G.W.A.: Butylation of the tryptophan indole ring: A side reaction during the removal of t-butyloxycarbonyl and t-butyl protecting groups in peptide synthesis. Chem. Comm.: 406-407, 1970.
42. Milne, G.W.A.: High resolution mass spectrometry in organic chemistry. Usp. Khim.: 39, 190-207, 1970. (In Russian).
43. Milne, G.W.A., Axenrod, T., and Fales, H. M.: Chemical ionization mass spectrometry of complex molecules. IV. Amino acids. J. Amer. Chem. Soc.: 92, 5170-5175, 1970.
44. Levin, I.W., Axenrod, T., and Milne, G. W. A.: Raman and infrared spectra of dimethylnitrosamine. J. Phys. Chem.: 53, 2505-2512, 1970.
45. Fales, H. M., Milne, G. W. A., and Axenrod, T.: Identification of barbiturates by chemical ionization mass spectrometry. Anal. Chem.: 42, 1432-1435, 1970.
46. Kiryushkin, A.A., Fales, H.M., Axenrod, T., Gilbert, E. J., and Milne, G. W. A.: Chemical ionization mass spectrometry of complex molecules. VI. Peptides. Org. Mass Spec.: 5, 19-31, 1971.
47. Milne, G.W. A.: The application of mass spectrometry to problems in medicine and biochemistry. In, Milne, G.W.A. (Ed.): Mass spectrometry, 1970. Wiley Interscience, New York, N. Y., November, 1971, pp.327-371.
48. Law, N.C., Aandahl, V.A., Fales, H.M., and Milne, G. W. A.: Identification of dangerous drugs by mass spectrometry. Clin. Chim. Acta: 32, 221-228, 1971.
49. Axenrod, T., Pregosin, P.S., Wieder, M. J., Becker, E. D., Bradley, R.B., and Milne, G.W.A.: Nitrogen-15 nuclear magnetic resonance spectrocopy. Substituent effects on N15-H coupling constants and nitrogen chemical shifts in aniline derivatives. J. Amer. Chem. Soc.: 93, 6536-6541, 1971.
50. Fales, H.M., Nagai, Y., Milne, G.W.A., Brewer, H.B., Jr., Bronzert, T.J., and Pisano, J.J.: Use of chemical ionization mass spectrometry in analysis of phenylthiohydantoin derivatives formed during Edman degradation of proteins. Anal. Biochem.: 43, 288-299, 1971.
51. Fales, H. M., Milne, G. W. A., and Nicholson, R. S.: Chemical ionization mass spectrometry of complex molecules. VIII. Esters of di- and tricarboxylic acids. Anal. Chem.: 43, 1785-1789, 1971.
52. Milne, G. W. A., Fales, H. M., and Axenrod, T.: Identification of dangerous drugs by chemical ionization mass spectrometry. Anal. Chem.: 43, 1815-1820, 1971.
53. Beggs, D., Fales, H.M., Milne, G.W.A., and Vestal, M. L.: A chemical ionization mass spectrometer source. Rev. Sci. Inst.: 42, 1578-1584, 1971.
54. Law, N. C., Fales, H. M., and Milne, G. W. A.: Identification of drugs taken in overdose cases. Clin. Tox.: 5, 17-26, 1972.
55. Fales, H.M., Milne, G.W.A., Pisano, J.J., Brewer, H. B., Jr., Blum, M.S., MacConnell, J.G., Brand, J., and Law, N. C.: Biological applications of electron ionization and chemical ionization mass spectrometry. Rec. Progr. Horm. Res.: 28, 596-626, 1972.
56. Weisgraber, K., Weiss, U., Milne, G.W.A., and Silverton, J.V.: Hexamethyl ether of leuco-thelephoric acid from corticium caeruleum. Phytochem.: 11, 2585-2587, 1972.
57. Maxwell, T., Milne, G.W.A., and Fales, H. M.: Plasticizers in blood - real or artifactual? Env. Health Pers.: 139-140, 1973
58. Heller, S.R., Fales, H. M., and Milne, G. W. A.: A conversational mass spectral search and retrieval system. II. Combined search options. Org. Mass Spec.: 7, 107-115, 1973.
59. Heller, S.R., Fales, H. M., and Milne, G. W. A.: An interactive mass spectral search system. J. Chem. Ed.: 49, 725, 1973.
60. Ting, K.L.H., Lee, R.C. T., Milne, G.W.A., Shapiro, M., and Guarino, A.M.: Applications of artificial intelligence: Relationships between mass spectra and pharmacological activity of drugs. Science: 180, 417-420, 1973.
61. Silverton, J.V., Milne, G.W.A., Eaton, P. E., Nyi, K., and Temme, G.H., III.: Structures of the [n,2,2]-propellanes. I. 2-hydroxy[4,2,2]propellane p-nitrobenzoate. J. Amer. Chem. Soc.: 96, 7429-7432, 1974.
62. Milne, G.W.A., Fales, H. M., and Colburn, R. W.: Chemical ionization mass spectrometry of complex molecules: Biogenic amines. Anal.Chem.: 45, 1952-1954, 1973.
63. Longevialle, P., Milne, G. W. A., and Fales, H. M.: Chemical ionization mass spectrometry of complex molecules.XI. Stereochemical and conformational effects in the isobutane chemical ionization mass spectrometry of some steroidal amino alcohols. J. Amer. Chem. Soc.: 95, 6666-6669, 1973.
64. Heller, S.R., Koniver, D.A., Fales, H.M., and Milne, G. W.A.: A conversational mass spectral search system. III. Display and plotting of spectra and dissimilarity comparison. Anal Chem.: 46, 947-950, 1974.
65. Heller, S.R., Feldmann, R.J., Fales, H.M., and Milne, G.W.A.: A conversational mass spectral search system. IV. The evolution of a system for the retrieval of mass spectral information. J. Chem. Doc.: 13, 130-133, 1973.
66. Schier, G. M., Halpern, B., and Milne, G. W. A.: Characterization of dipeptides by electron impact and chemical ionization mass spectrometry. Biomed. Mass Spec.: 1, 212-218, 1974.
67. Milne, G. W. A., and Lacey, M. J.: Modern Ionization Techniques in mass spectrometry. Crit. Rev. Anal. Chem.: 4, 45-104, 1974.
68. Kim, S.J., Kwon-Chung, K.J., Milne, G. W. A., and Prescott, B.: Polyene-resistant mutants of aspergillus fennelliae: Characterization of sterols. Antimicrob. Agents and Chemother.: 6, 405-410, 1975.
69. Fales, H.M., Milne, G.W.A., Winkler, H. U., Beckey, H. D., Damico, J.N., and Barron, R.: Comparison of mass spectra of some biologically important compounds as obtained by various ionization techniques. Anal. Chem.: 47, 207-219, 1975.
70. Kim, S.J., Kwon-Chung, K.J., Milne, G.W.A., Hill, W. B., and Patterson, G.: Relationship between polyene resistance and sterol compositions in cryptococcus neoformans. Antimicrobial Agents and Chemother.: 7, 99-106, 1975.
71. Heller, S.R., Fales, H.M., Milne, G.W.A., Feldmann, R. J., Daly, N. R., Maxwell, D. C., and McCormick, A.: An experimental international conversational mass spectral search system. Adv. Mass Spec.: 6, 1037-1042, 1975.
72. Feldmann, R. J., Milne, G. W. A., and Heller, S. R.: Crystallographic data retrieval and display: Projection of information system development. Trans. of the Amer. Cryst. Assoc.: 12, 75-83, 1976.
73. Shaw, G.J., Wright, G. J., and Milne, G. W. A.: The synthesis of ,,,-tetradeuteroserotonin. Biomed. Mass Spec.: 3, 146-148, 1976.
74. Shaw, G. J., and Milne, G. W. A.: Synthesis and Properties of dodecane-1,12-13C2 and dodecane-1,1,1,12,12,12-2H6. J. Lab. Compds. and Radiopharm.: 12, 557-563, 1976.
75. Daniels, P.J.L., Mallams, A.K., Weinstein, J., Wright, J. J., and Milne, G.W. A.: Mass spectral studies on aminocyclitol-aminoglycoside antibiotics. J. Chem.Soc. Perkin I: 1078-1088, 1976.
76. Heller, R.S., Milne, G.W.A., Feldmann, R. J., and Heller, S.R.: An international mass spectral search system (MSSS). V. A status report. J. Chem. Inf. and Comp. Sci.: 16, 176-178, 1976.
77. Milne, G.W.A., and Heller, S.R.: The MSDC/EPA/NIH mass spectral search system. Amer. Lab.: 8, 43-54, 1976.
78. Heller, S.R., Milne, G.W.A., and Feldmann, R.J.: Quality control of chemical data bases. J. Chem. Inf. and Comp. Sci.: 16, 232-233, 1976.
79. Shaw, G.J., Wright, G. J., and Milne, G. W.A.: Synthesis and mass spectra of some specifically deuterated tryptamines. Biomed. Mass Spec.: 4, 348, 1977.
80. Borchers, F., Levsen, K., and Milne, G. W. A.: Kinetic investigations of hydrogen rearrangements in aliphatic and aromatic esters. Adv. Mass Spec.: 7A, 162-170, 1977.
81. Heller, S.R., Milne, G.W.A., and Feldmann, R.J.: A computer-based chemical information system. Science: 195, 253-259, 1977.
82. Heller, S.R., Heller, R.S., McCormick, A., Maxwell, D. C., and Milne, G. W. A.: Progress of the MSDC-NIH-EPA Mass Spectral Search System. Adv. Mass Spec.: 7B, 985-8, 1977.
83. Levsen, K., Heimbach, H., Shaw, G.J., and Milne, G.W.A.: Isomerization of hydrocarbon ions. VIII. The electron-impact induced decomposition of n-dodecane. Org. Mass Spec.: 12, 663-670, 1977.
84. Vinton, V.A., Milne, G. W. A., and Heller, S.R.: An on-line search system for the mass spectrometry literature. Analytica Chimica Acta: 95, 41-49, 1977.
85. Feldmann, R.J., Milne, G.W.A., Heller, S. R., Fein, A., Miller, J.A., and Koch, B.: An interactive substructure search system. J. Chem. Inf. and Comp. Sci.: 17, 157-163, 1977.
86. Dalrymple, D.L., Milne, G. W. A., Wilkins, C.L., and Heller, S. R.: A 13C NMR data base and search system. Org. Mag. Res.: 11, 535-540, 1978.
87. Milne, G.W.A., and Heller, S. R.: The NIH-EPA Chemical Information System. Ch. 3 (pp.26-45) in 'Computer-Assisted Structure Elucidation', Ed. D. Smith, American Chemical Society Symposium Series, Washington, DC 1977.
88. Milne, G. W. A., Fales, H. M., and Law, N. C.: The Use of Mass Spectrometry for Drug
Identification. In "Instrumental Applications in Forensic Drug Chemistry" (Eds. M. Klein, A.V. Krueghel and S. P. Sobol). U.S. Govt.Printing Office, Washington, DC, 20402. Stock Number 027-000-00770-8 (1978).
89. Zupan.J., Heller, S.R., and Milne, G.W.A.: Three-Dimensional Representation of CNMR Spectra. Bull. Slovenian Chem. Soc., 25, 37-49, 1978.
90. Zupan, J., Heller, S.R., Milne, G.W.A., and Miller, J. A.: A Substructure Oriented 13C NMR Chemical Shift Retrieval System. Anal. Chimica Acta: 103, 141-149, 1978.
91. Milne, G.W.A., Zupan, J., Heller, S.R., and Miller, J. A.: Spectra-Structure Relationships in Carbon-13 Nuclear Magnetic Resonance Spectroscopy. Results from a Large Data Base. Org. Mag. Res., 12, 289-296, 1979.
92. Heller, S.R., Milne, G.W.A., and Feldmann, R.J.: The Mass Spectral Search System. Proceedings of the Fifth Biennial International CODATA Conference, Pergamon Press, New York, 1977, p. 549.
93. Heller, S.R., Milne, G. W.A., and Feldmann, R.J.: A Computer-Based Chemical Information System. Proceedings of the Third International Conference on Computer Research, Education and Technology, Caracas. Eds. E. Ludena and F. Brito. Pages 153-158, 1978.
94. Heller, S. R., and Milne, G.W.A.: The NIH-EPA Chemical Information System. Ch. 10 (pp.144-167) in ACS Symposium #84 (Eds. M. Milne and J. Howe). American Chemical Society, Washington, DC, 1978.
95. Heller, S.R., and Milne, G.W.A.: The NIH-EPA Chemical Information System in Support of TSCA Monitoring Activities. Ch. 16 (pp. 255-280) in ACS Symposium #94 (Ed. D. Schuetzle). American Chemical Society, Washington, DC, 1978.
96. McGill, J.R., Heller, S. R., and Milne, G.W.A.: A Computer-Based Toxicology Search System. J. Env. Path. & Tox., 2, 539-551, 1978.
97. Milne, G.W.A., Heller, S.R., Fein, A.E., Frees, E. F., Marquart, R. G., McGill, J.A., Miller, J. A., and Spiers, D.S.: The NIH-EPA Structure and Nomenclature Search System. J. Chem. Inf. & Comp. Sci., 18, 181-186, 1978.
98. Marquart, R.G., Katsnelson, I, Milne, G.W.A., Heller, S. R., Johnson, G. G., and Jenkins, R.: A Search-Match System for X-Ray Powder Diffraction Data. J. Appl. Cryst., 12, 629-634, (1979).
99. Heller, S.R., and Milne, G. W. A.: The NIH-EPA Chemical Information System in Support of TSCA Monitoring Activities. Env. Sci. & Tech., 13, 798-803, 1979.
100. Heller, S.R., Milne, G.W.A., and Feldmann, R.J.: The Mass Spectral Search System, Proceedings of the 6th International CODATA Conference, pp.549-552, ed.B. Dreyfus, Pergamon Press 1977.
101. Meisel, W., Jolley, M., Heller, S.R., and Milne, G.W.A.: The Role of Pattern Recognition in the Computer-Aided Interpretation of Mass Spectra. Anal. Chim. Acta, 112, 407-416, (1979).
102. Hopfinger, A.J., Potenzone, R., Pearlstein, R., Kikuchi, O., Shapiro, M., Milne, G.W.A., and Heller, S. R.: Structure-Activity Analyses in the Classification of Toxic Chemicals. Proc. Symp. on Safe Handling of Chemical Carcinogens, Ann Arbor Press, Ann Arbor, MI, 2, 385-409, (1979).
103. Heller, S.R., and Milne, G. W. A.: The NIH-EPA Chemical Information System. Database, 2, 69-79, 1979.
104. Shaw, G.J., Milne, G. W. A., and Minghetti, A.: Propionate Precursors in the Biosynthesis of Daunomycin and Adriamycin. A 13C Nuclear Magnetic Resonance Study. Phytochemistry, 18, 178-179, (1979).
105. Heller, S. R., and Milne, G. W. A.: The NIH-EPA Chemical Information System in support of structure elucidation. Vestn. Slov. Kem. Drug., 26, 37-42, (1979).
106. Heller, S.R., and Milne, G.W.A.: Linking Scientific Data Bases - The NIH-EPA Chemical Information System. Database, 3, 45-57, (1980).
107. Marquart, R.G., Marquart, L., Mintz, S., McGill, J. R., McDaniel, J., Heller, S. R., and Milne, G.W.A.: A Federal Register Notices Search System. Online, 4, 45-49, (1980).
108. Fisk, C.L., Milne, G.W.A., and Heller, S. R.: The Status of Infrared Databases. J. Chromat., 17, 441-444, 1979.
109. Milne, G.W.A., Heller, S. R., Heller, R. S., and Martinsen, D. P.: The NIH-EPA Chemical Information System. Adv. Mass Spec., 8B, 1578-1581, (1980).
110. Heller, S.R., and Milne, G. W. A.: The NIH-EPA Chemical Information System in support of Structure Elucidation. Anal. Chim. Acta, 122, 117-138, (1980).
111. Milne, G. W. A., and Heller, S. R.: The NIH-EPA Chemical Information System. J. Chem. Inf. & Comp. Sci., 20, 204-211, (1980).
112. Heller, S. R., and Milne, G. W.A.: Online Spectroscopic Data Bases. Amer. Lab.: 12, 33-48, (1980).
113. Dillard, J. G., Heller, S. R., McLafferty, F. W., Milne, G. W. A., and Venkataraghavan, R.: Critical Evaluation of Class II and Class III Electron Impact Mass Spectra. Operating Parameters and Reporting Mass Spectra. Org. Mass Spectrom.: 16, 48-49, (1981).
114. Norton, J. A., Shamberger, R., Stein, T. P., Milne, G. W. A., and Brennan, M.: The Influence of Tumor-Bearing on Protein Metabolism in the Rat. J. Surg. Res.: 30, 456-462, (1981).
115. Heller, S. R., and Milne, G. W. A.: The NIH-EPA Chemical Information System. CODATA Bulletin, 40, 41-44, (1981).
116. Heller, S. R., Potenzone, R., Milne, G. W. A., and Fisk, C. L.: Computers in Analytical Chemistry. Trends in Analytical Chemistry, 1, 41-45, (1981).
117. Milne, G. W. A., The Use of Computers in Chemical Structure Determination. Chapter 6 in "Natural Products as Medicinal Agents" (Eds. J. A.Beal and E. Reinhard), Hippokrates Verlag, Stuttgart, Germany (1981).
118. Milne, G. W. A., Fisk, C. L., Heller, S. R., and Potenzone, R.: Environmental Uses of the NIH-EPA Chemical Information System. Science, 215, 371-375, (1982).
119. Pearlstein, R. A., Malhotra, D., Harr, R., Orchard, B.J., Tripathy, S. K., Hopfinger, A. J., Potenzone, R., Heller, S. R., and Milne, G. W. A.: A New Molecular Modelling Software Package: The Chemical Modelling Laboratory (CHEMLAB). Computers in Chemistry, in Press (1982).
120. Milne, G. W. A., Budde, W. L., Heller, S. R., Martinsen, D. P., and Oldham, R.G., Quality Control and Evaluation of Mass Spectra. Org. Mass Spectrom., 17, 547-552, (1982).
121 Milne, G. W.A., Development of a Chemical Information System. J. Assoc. Official Analyt. Chemists, 65, 1249-1258, (1982).
122. Milne, G. W. A.: Chemical Information Systems. Proceedings of the 6th.International Conference on Computers in Chemical Research and Education, (Eds. Heller, S.R.and
Potenzone, R.). Elsevier, Amsterdam (1982), pp.45-60.
123. Milne, G. W. A., A Computer System for Use in the Review of Old Drugs. Med. Pediatr. Oncol., 11, 519A-529B, (1983).
124. Heller, S. R., Budde, W. L., Martinsen, D. P., and Milne, G. W. A.: The NIH/EPA Mass Spectral Data Base and Search System. Int. J. Mass Spec. & Ion Phys., 47, 313-316, (1983).
125. Milne, G. W. A., and Miller, J. A. The NCI Drug Information System. I. System Overview. J. Chem. Inf. & Comp. Sci., 26, 154-159, (1986).
126. Milne, G. W. A., Feldman, Alfred, Miller, J. A., Daly, G. P. and Hammel, M. J.: The NCI Drug Information System. II. The DIS Pre-Registry. J. Chem. Inf. & Comp. Sci., 26, 159-168, (1986).
127. Milne, G. W. A., Feldman, Alfred, Miller, J.A. and Daly, G. P. The NCI Drug Information System. III. The DIS Chemistry Module. J. Chem. Inf. & Comp. Sci., 26, 168-179, (1986)
128. Milne, G. W. A., Miller, J. A. and Hoover, J. R.: The NCI Drug Information System. IV. Inventory and Shipping Modules. J. Chem. Inf. & Comp. Sci., 26, 179-185, (1986).
129. Zehnacker, M. T., Brennan, R.H., Milne, G. W. A., and Miller, J. A.: The NCI Drug Information System. V. The DIS Biology Module. J. Chem. Inf. & Comp. Sci., 26, 186-193, (1986).
130. Zehnacker, M. T., Brennan, R. H., Milne, G. W. A., Miller, J.A. and Hammel, M. J.: The NCI Drug Information System. VI. System Maintenance. J. Chem. Inf. & Comp. Sci., 26, 193-197, (1986).
131. Quinn, F. R. And Milne, G. W. A.: Toxicities Derived from Antitumor Screening Data. Fund. App. Tox., 6, 270-277, (1986).
132. Milne, G. W. A.: A Data Base System That Relies Heavily on Graphics. Ch. 10 (pp.102-119) in ACS Symposium #341 (Ed. W. Warr). American Chemical Society, Washington, DC, 1987.
133. Milne, G. W. A., Driscoll, J. S. and Marquez, V. E.: Molecular Modelling in Drug Design. Proc. Montreux Intnl. Chem. Inf. Conf., 1, 19-40, (1989).138. Tseng, Christopher K.-H., Marquez, V. E., Milne, G. W. A., Mitsuya, H., Shirasaki, T., Wysocki, R. J. and Driscoll, J. S.: A Ring-Enlarged Oxetanocin A Analogues as an Inhibitor of HIV Infectivity. J. Med. Chem.: 34, 343-349, (1991).
134. Milne, G. W. A.: Generic Formulation of Chemical Composition. World Patent Info.: 13,76-80, (1991).
135. Milne, G. W. A.: Very Broad Markush Claims; A Solution or a Problem? J. Chem. Inf. & Comp. Sci., 31, 9-30, (1991).
136. Milne, G. W. A. and Willett, P.: A Tribute to Michael F. Lynch. J. Chem. Inf. & Comp. Sci., 31, 175, (1991).
137. Milne, G. W. A.: About Computers (Guest Editorial). ChemTech, 21, 648, (1991).
138. Héthelyi, E., Milne, G. W. A., Podányi, B., Koczka, I., Neszmélyi, A.: Composition of the Essential Oil of Clone 409 of Tanacetum vulgare 2D NMR Investigation of trans-Chrysanthenyl Acetate. J. Essential Oils, 4, 243-250, (1992).
139. Teng. Kelley, Marquez, V. M., Milne, G. W. A., Barchi, J. J., Kasanietz, M. G., Lewin, N. E., Blumberg, P., Abushanab, E.: Conformationally Constrained Analogues of Diacyl Glycerol. Interaction of -Lactones with the Phorbol Ester Receptor of Protein Kinase C. J. Amer. Chem. Soc., 114, 1059-1070, (1992).
140. Milne, G. W. A. and Nicklaus, M. C.: Use of Computer Graphics in Drug Design. In "Medications, - Drug Discovery, Databases and Computer-Aided Drug Design". National Institute for Drug Abuse, ADAMHA, Washington, DC. (1992).
141. Dias, J. R. and Milne, G. W. A.: Chemical Applications of Graph Theory. J. Chem. Inf. & Comp. Sci., 32, 1, (1992).
142. Milne, G. W. A.: DrawPerfect and CorelDraw. Software Review. J. Chem. Inf. & Comp. Sci., 32, 570, (1992).
143. Hendrickson, M., Nicklaus, M. C., Zaharevitz, D. W. and Milne, G. W. A. CONCORD and CAMBRIDGEComparison of Modeled Structures with X-Ray Data. J. Chem. Inf. & Comp. Sci., 32, 155-163, (1992).
144. Nicklaus, M. C., Milne, G. W. A. and Burke Jr., T. R. QSAR of Conformationally Flexible Molecules: Comparative Molecular Field Analysis of Protein-Tyrosine Kinase Inhibitors. J. Comp. Aided Mol. Des., 6, 487-504, (1992).
145. Milne, G. W. A., Nicklaus, M. C. and Hodošek, M. Molecular Modeling in Solvent. J. Mol. Struct., 291, 89-103, (1993).
146. Nicklaus, M. C., Milne, G. W. A., and Zaharevitz, D. Chem-X and Cambridge. Comparison of Computer-Generated Chemnical Structures with X-Ray Crystallographic Data. J. Chem. Inf. Comp. Sci., 33, 639-646, (1993)
147. Wang. S., Milne, G. W. A. Applications of Computers to Toxicological Research. Chem. Res. Tox., 6, 748-753 (1993)
148. Sharma, R., Marquez, V. E., Milne, G. W. A., Lewin, N. E., Blumberg, P. Conformationally Constrained Analogues of Diacylglycerol. 5. 2,5-Dideoxy-3-O-tetradecaloyl-D-galactono-1,4-lactone: A Superior Homologue of 3-O-tetradecanoyl-2-deoxy-L-ribonolactone with PK-C Binding Affinity. Bioorg. & Med. Chem. Lett., 3, 1993-1998, (1993)
149. Wang, S., Milne, G. W. A., Nicklaus, M. C., Marquez, V. M., Lee, J., Blumberg, P. M. Protein Kinase C. Modeling of the Binding Site and Prediction of Binding Constants. J. Med. Chem., 37, 1326-1338, (1994)
150. Wang, S., Zaharevitz, D. W., Sharma, R., Marquez, V., Lewin, N. E., Du L., Blumberg, P. M. and Milne, G. W. A., The Discovery of Novel, Structurally Diverse PK-C Agonists through Computer 3D-Database Search. Molecular Modeling Studies. J. Med. Chem., 37, 4479-4489, (1994).
151. Yan, Xinjian, Wang, Shaomeng, Hodošek, Milan, Milne, G. W. A. Prediction of Geometries and Interaction Energies of Complexes Formed by Small Molecules Using Semi-empirical and ab inito methods. J. Mol. Struct., 309, 279-294, (1994).
152. Milne, G. W. A., Wang, S., Zaharevitz, D., Driscoll, J. S. The NCI Drug Information System 3D Database. J. Chem. Inf. Comput. Sci., 34, 1219-1224, (1994).
153. Wang, Shaomeng, Milne, G. W. A., Klopman, G. Graph Theory and Group Contributions in the Estimation of Boiling Points of Organic Compounds. J. Chem. Inf. Comp. Sci., 34, 1241-1250, (1994).
154. Nicklaus, M. C., Wang, Shaomeng, Driscoll, J. S. Milne, G. W. A. Conformational Changes of Small Molecules Binding to Proteins. Bioorg. Med. Chem., 3, 411-428, (1994).
155. Milne, G. W. A. Trends in Chemical Information. Proc. Annecy Intnl. Chem. Inf. Conf., 6, 6-17, (1994).
156. Nicklaus, M. C., Ford Jr., H., Hegedus, L., Milne, G. W. A. and Kelly, J. A. Comparative Molecular Field Analysis of Hydrophobicity Descriptors of Cytosine Nucelosides. Quan. Str. Act. Rel., 14, 335-343, (1995).
157. Acs, Geza, Marquez, V. E., Wang, Shaomeng, Milne, G. W. A., Lewin, N., Blumberg, P. M. Resiniferotoxin-Amide and Analogs as Ligands for Protein Kinase C and Vanilloid Receptors and Determination of Their Biological Activities as Vanilloids. J. Neurochem., 65, 301-308, (1995).
158. Milne, G. W. A. The Visual Display of Quantitative Information; Envisioning Information. Book Review. J. Chem. Inf. Comput. Sci., 35, 655-656, (1995).
159. Sharma, R., Lee, J., Wang, S., Milne, G. W. A., Lewin, N. E., Blumberg, P. M., Marquez, V. E. Conformationally Constrained Analogues of Diacylglycerol. 10. Ultrapotent Protein Kinase C (PK-C) Ligands Based on a Racemic 5-Disubstituted Tetrahydro-2-Furanone Template. J. Med.Chem. 39, 19-28, (1995).
160. Lee, J., Wang, S., Milne, G. W. A., Sharma, R., Lewin, N. E., Blumberg, P. M., Marquez, V. E. Conformationally Constrained Analogues of Diacylglycerol. 11. Ultrapotent Protein Kinase C (PK-C) Ligands Based on a Chiral 5-Disubstituted Tetrahydro-2-Furanone Template. J. Med. Chem. 39, 29-35, (1995).
161. Lee, J., Sharma, R., Wang, S., Milne, G. W. A., Lewin, N. E., Szallazi, Z., Blumberg, P. M., George, C., Marquez, V. E. Conformationally Constrained Analogues of Diacylglycerol. 10. Ultrapotent Protein Kinase C (PK-C) Ligands Based on a Chiral 4-Substituted Heptono-1,4-Lactone Template. J. Med. Chem. 39, 36-45, (1995).
162. Wang, Shaomeng, Milne, G. W. A., Yan, Xinjian, Posey, Isadora, Nicklaus, M. C., Graham, Lisa and Rice, William G. Discovery of Novel, Non-Peptide HIV-1 Protease Inhibitors by Pharmacophore Searching. J. Med. Chem., 40, 2047-2054, (1996).
163. Mazumder, Abhijit, Wang, Shaomeng, Neamati, Nouri, Nicklaus, Marc, Sunder, Sanjay, Chen, Julie, Milne, George W. A., Rice, William G., Pommier, Yves. Antiretroviral Agents as Inhibitors of Both Human Immunodeficiency Virus Type 1 Integrase and Protease. J. Med. Chem., 40, 2472-2481, (1996).
164. Wang, Shaomeng, Kazanietz, Marcelo G., Blumberg, Peter M., Marquez, Vicxtor E., Milne, G. W. A. Molecular Modeling and Site-Directed Mutagenesis Studies on the Phorbol Ester Binding Site in Protein Kinase C. J. Med. Chem., 40, 2541-2553, (1996).
165. Milne, G. W. A., Wang, Shaomeng, Nicklaus, M. C. Molecular Modeling in the Discovery of Lead Drugs. J. Chem. Inf. Comput. Sci., 36, 726-730, (1996).
166. Milne, G. W. A., Wang, Shaomeng, Fung, V. Use of Computers in Toxicology and Chemical Design. In Use of Computers in Toxicology and Chemical Design. ACS Symposium Series #640, pp. 138-155, ACS, Washington, DC (1996).
167. Yan, X., Hollis, T., Svinth, M., Day, P., Monzingo, A. F., Milne, G. W. A., Robertus, J. D. Structure-Based Identification of a Ricin Inhibitor. J. Mol. Biol., 266, 1043-1049, (1997).
168. Yan, X., Day, P., Hollis, T., Monzingo, A. F., Schelp, E., Robertus, J. D., Wang, S., Milne, G. W. A. Recognition and Interaction of Small Rings with the Ricin A Chain Binding Site. Proteins, 31, 33-41, (1998).
169. Zhao, H., Neamati, N., Hong, H., Mazumder, A., Wang, S., Sunder, S., Milne, G. W. A., Pommier, Y., Burke Jr., T. R. Coumarin-Based Inhibitors of HIV Integrase. J. Med. Chem., 40, 242-249, (1997)
170. Hong, H., Neamati, N., Wang. S., Nicklaus, M. Mazumder, A., Pommier, Y., Burke, T. R., Zhao, H., Milne, G. W. A. Discovery of Human Immunodeficiency Virus Type 1 Integrase Inhibitors by Pharmacophore Searching. J. Med. Chem., 40, 930-936, (1997).
171. Nicklaus, M. C., Neamati, N., Hong, H., Mazumder, A., Sunder, S., Chen, J., Milne, G.
W. A., Pommier, Y. HIV-1 Integrase Pharmacophore: Discovery of Inhibitors Through 3D Database Searching. J. Med. Chem., 40, 920-929, (1997).
172. Zhao, H., Neamati, N., Hong, H., Milne, G. W. A., Pommier, Y., Burke Jr., T. R. Hydrazide-Containing Inhibitors of HIV-1 Integrase. J. Med. Chem., 40, 937-941, (1997).
173. Neamati, N., Hong, H., Mazumder, A., Wang, S., Sunder, S., Milne, G. W. A., Proksa, B., Pommier, Y. Depsides and Depsidones as Inhibitors of HIV-1 Integrase: Discovery of Novel Inhibitors Through 3D Database Searching. J. Med. Chem., 40, 942-951, (1997).
174. Milne, G. W. A. Mathematics as a Basis for Chemistry. J. Chem. Inf. Comput. Sci., 37, 639-644, (1997).
175. Milne, G. W. A. , Nicklaus, M. C, Wang, S. Pharmacophores in Drug Design and Discovery. In: SAR QSAR Environ. Res., 9, 23-38, (1998).
176 Neamati, N., Hong, H., Sunder, S., Milne, G. W. A., Pommier, Y. Potent Inhibitors of Human Immunodeficiency Virus Type I Integrase: Identification of a Novel Four-Point Pharmacophore andTetracyclines as Novel Inhibitors. Mol. Pharm., 52, 1041-1055, (1997).
177. Hong, H., Milne, G. W. A., Nicklaus, M. C. HIV-1 Integrase Pharmacophore Identification. J. Chem. Inf. Comp. Sci., submitted (7/30/97).
178. Milne, G. W. A. Pharmacophores and Drug Discovery. Encyclopedia of Computational Chemistry, Schleyer, P. v. R., Editor, in press (1998).
179 Drake, R. R., Neamati, N., Hong, H., Pilon, A. A., Sunthankar, P., Hume, S. D. , Milne, G. W. A., Pommier, Y. Identification of a Nucleotide Binding Site in HIV-1 Integrase. Proc. Natl. Acad. Sci. U.S.A., 95, 4170-4175, (1998).
180. Neamati, N, Hong, H., Owen, J. M., Sunder, S., Winslow, H., Zhao, H., Burke Jr., T. R.; Milne, G. W. A., Pommier, Y. Salicyl-Hydrazine Containing Inhibitors of HIV-1 Integrase: Implication for a Selective Chelation in the Integrase Active Site. J. Med. Chem. 41, 3202-3209, (1998).
181. Hong, H., Neamati, N., Winslow H. E., Christensen, J. L., Orr, A., Pommier, Y., Milne, G. W. A. Identification of HIV-1 Integrase Inhibitors Based on a Four Point Pharmacophore.
Antivir. Chem. Chemother., 9, 461-472, (1998).
182. Burke, T. R., Yao, S. J., Zhao, H., Milne, G. W. A., Wu, L., Zhang, Z. Y., Voigt, J. H. Tetrahedron, 54, 9981-9994, (1998).
183. Yao, Z. J., King, C. R., Cao, T., Kelley, J., Milne, G. W. A., Voigt, J. H., Burke Jr., T. R. Potent Inhibition of Grb2 SH2 Domain Binding by Non-Phosphate-Containing Ligands. J. Med. Chem., 42, 25-35, (1999).
184. Burke Jr., T. R., Luo, J., Yao, Z. J., Gao, Y., Zhao, H., Milne, G. W. A., Guo, R., Voigt, J. H., King, C. R., Yang D. Bioorg. Med. Chem. Lett., 9, 347-352, (1999).
185. Marquez, V. E., Nacro, K., Benzaria, S., Lee, J., Sharma, R., Teng, K., Milne, G. W. A., Bienfait, B., Wang, S. M., Lewin, N. E., Blumberg, P. M. Pharm. & Ther., 82, 251-261, (1999)
186. Marquez, V. E., Lee, J., Sharma, R., Wang, S., Milne, G. W. A., Nicklaus, M. C., Blumberg, P. M., Lewin, N. E. Conformationally Constrained Diacylglycerol Analogs. U. S. Patent 5,874,464. Feb. 23, 1999.
187. Estrada, E., Uriarte, E., Molina, E., Simon-Manso, Y., Milne, G. W. A. An Integrated in Silico Analysis of Drug Binding oi Huam Serum Albumin. J. Chem. Inf. Model., 46, 2709-2724, (2006).
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