На правах рукописи
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На правах рукописи На правах рукописи

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159. Rosenkranz H.S.; Mitchell C.S.; Klopman G. Artificial intelligence and Bayesian decision theory in the prediction of chemical carcinogens. // Mutat. Res. - 1985. - V. 150, № 1-2. - P. 1-11. 160. Klopman G.; Frierson M.R.; Rosenkranz H.S. Computer analysis of toxicological data bases: mutagenicity of aromatic amines in Salmonella tester strains. // Environmental Mutagenesis. - 1985. - V. 7, № 5. - P. 625-644. 161. Rosenkranz H.S.; Klopman G. Mutagens, carcinogens, and computers. // Progress in Clinical and Biological Research. - 1986. - V. 209. Pt. A. - P. 71-104. 162. Klopman G.; Namboodiri K.; Kalos A.N. Computer automated evaluation and prediction of the Iball Index of carcinogenicity of polycyclic aromatic hydrocarbons. // Progress in Clinical and Biological Research. - 1985. - V. 172, Pt. A. - P. 287-298. 163. Klopman G. Predicting toxicity through a computer automated structure evaluation program. // Environmental Health Perspectives. - 1985. - V. 61. - P. 269- 274. 164. Klopman G.; Macina O.T. Use of the computer automated structure evaluation program in determining quantitative structure-activity relationships within hallucinogenic phenylalkylamines. // J. Theor. Biol. - 1985. - V. 113, № 4. - P. 637-648. 165. Klopman G.; Contreras R. Use of artificial intelligence in structure-activity correlations of anticonvulsant drugs. // Mol. Pharmacol. - 1985. - V. 27, № 1. - P. 86- 93. 166. Klopman G.; Venegas R.E. CASE study of in vitro inhibition of sparteine monooxygenase. // Acta Pharmaceutica Jugoslavica. - 1986. - V. 36, № 2. - P. 189- 209. 167. Klopman G.; Kalos A.N. Quantitative structure-activity relationships of betaadrenergic agents. Application of the computer automated structure evaluation (CASE) technique of molecular fragment recognition. // J. Theor. Biol. - 1986. - V. 118, № 2. - P. 199-214. 168. Klopman G.; Macina O.T.; Simon E.J.; Hiller J.M. Computer automated structure evaluation of opiate alkaloids. // J. Mol. Struct. Theochem. - 1986. - V. 27, № 3- 4. - P. 299-308. 328

169. Klopman G.; Macina O.T.; Levinson M.E.; Rosenkranz H.S. Computer automated structure evaluation of quinolone antibacterial agents. // Antimicrobial Agents and Chemotherapy. - 1987. - V. 31, № 11. - P. 1831-1840. 170. Klopman G.; Macina O.T. Computer-automated structure evaluation of antileukemic 9-anilinoacridines. // Mol. Pharmacol. - 1987. - V. 31, № 4. - P. 457-476. 171. Artemenko N.V.; Baskin I.I.; Palyulin V.A.; Zefirov N.S. Artificial neural network and fragmental approach in prediction of physicochemical properties of organic compounds. // Russ. Chem. Bull. - 2003. - V. 52, № 1. - P. 20-29. 172. Smolenskii E.A. On Some Aspects of the Structure–Property Problem // Dokl. Chem. - 1999. - V. 365, № 4-6. - P. 93-98. 173. Smolenskii E.A.; Slovokhotova O.L.; Chuvaeva I.V.; Zefirov N.S. Information Significance of Topological Indices. // Dokl. Chem. - 2004. - V. 397, № 2. - P. 173. 174. Nutt C.W. The correlation and prediction of the optical and thermodynamic properties of saturated liquid hydrocarbons by the group contribution method. // Transactions of the Faraday Society. - 1957. - V. 53. - С. 1538-1544. 175. Ghose A.K.; Crippen G.M. Atomic Physicochemical Parameters for Three- Dimensional Structure-Directed Quantitative Structure-Activity Relationships I. Partition Coefficients as a Measure of Hydrophobicity. // J. Comput. Chem. - 1986. - V. 7, № 4. - P. 565-577. 176. Ghose A.K.; Crippen G.M. Atomic Physicochemical Parameters for Three- Dimensional-Structure-Directed Quantitative Structure-Activity Relationships. 2. Modeling Dispersive and Hydrophobic Interactions. // J. Chem. Inf. Comput. Sci. - 1987. - V. 27, № 1. - P. 21-35. 177. Ghose A.K.; Pritchett A.; Crippen G.M. Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships III: Modeling hydrophobic interactions. // J. Comput. Chem. - 1988. - V. 9, № 1. - P. 80-90. 178. Viswanadhan V.N.; Ghose A.K.; Revankar G.R.; Robins R.K. Atomic physicochemical parameters for three dimensional structure directed quantitative structureactivity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally oc- 329

169. Klopman G.; Macina O.T.; Levinson M.E.; Rosenkranz H.S. Computer automated<br />

structure evaluation of quinolone antibacterial agents. // Antimicrobial Agents<br />

and Chemotherapy. - 1987. - V. 31, № 11. - P. 1831-1840.<br />

170. Klopman G.; Macina O.T. Computer-automated structure evaluation of antileukemic<br />

9-anilinoacridines. // Mol. Pharmacol. - 1987. - V. 31, № 4. - P. 457-476.<br />

171. Artemenko N.V.; Baskin I.I.; Palyulin V.A.; Zefirov N.S. Artificial neural network<br />

and fragmental approach in prediction of physicochemical properties of organic<br />

compounds. // Russ. Chem. Bull. - 2003. - V. 52, № 1. - P. 20-29.<br />

172. Smolenskii E.A. On Some Aspects of the Structure–Property Problem // Dokl.<br />

Chem. - 1999. - V. 365, № 4-6. - P. 93-98.<br />

173. Smolenskii E.A.; Slovokhotova O.L.; Chuvaeva I.V.; Zefirov N.S. Information<br />

Significance of Topological Indices. // Dokl. Chem. - 2004. - V. 397, № 2. - P. 173.<br />

174. Nutt C.W. The correlation and prediction of the optical and thermodynamic<br />

properties of saturated liquid hydrocarbons by the group contribution method. //<br />

Transactions of the Faraday Society. - 1957. - V. 53. - С. 1538-1544.<br />

175. Ghose A.K.; Crippen G.M. Atomic Physicochemical Parameters for Three-<br />

Dimensional Structure-Directed Quantitative Structure-Activity Relationships I. Partition<br />

Coefficients as a Measure of Hydrophobicity. // J. Comput. Chem. - 1986. - V.<br />

7, № 4. - P. 565-577.<br />

176. Ghose A.K.; Crippen G.M. Atomic Physicochemical Parameters for Three-<br />

Dimensional-Structure-Directed Quantitative Structure-Activity Relationships. 2.<br />

Modeling Dispersive and Hydrophobic Interactions. // J. Chem. Inf. Comput. Sci. -<br />

1987. - V. 27, № 1. - P. 21-35.<br />

177. Ghose A.K.; Pritchett A.; Crippen G.M. Atomic physicochemical parameters<br />

for three dimensional structure directed quantitative structure-activity relationships<br />

III: Modeling hydrophobic interactions. // J. Comput. Chem. - 1988. - V. 9, № 1. - P.<br />

80-90.<br />

178. Viswanadhan V.N.; Ghose A.K.; Revankar G.R.; Robins R.K. Atomic physicochemical<br />

parameters for three dimensional structure directed quantitative structureactivity<br />

relationships. 4. Additional parameters for hydrophobic and dispersive interactions<br />

and their application for an automated superposition of certain naturally oc-<br />

329

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