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199. Rucker G.; Rucker C. Counts of all walks as atomic and molecular descriptors. // J. Chem. Inf. Comput. Sci. - 1993. - V. 33, № 5. - P. 683-695. 200. Adamson G.W.; Cowell J.; Lynch M.F.; Town W.G.; Yapp A.M. Analysis of structural characteristics of chemical compounds in a large computer-based file. Part IV. Cyclic fragments. // J. Chem. Soc., Perkin Trans. 1. - 1973. - V. № 8. - P. 863- 865. 201. Adamson G.W.; Creasey S.E.; Eakins J.P.; Lynch M.F. Analysis of structural characteristics of chemical compounds in a large computer-based file. Part V. More detailed cyclic fragments. // J. Chem. Soc., Perkin Trans. 1. - 1973. - V. № 19. - P. 2071-2076. 202. Wiswesser W.J. How the WLN began in 1949 and how it might be in 1999. // J. Chem. Inf. Comput. Sci. - 1982. - V. 22, № 2. - P. 88-93. 203. Weininger D. SMILES, A Chemical Language and Information System. 1. Introduction to Methodology and Encoding Rules. // J. Chem. Inf. Comput. Sci. - 1988. - V. 28, № 1. - P. 31-36. 204. Weininger D.; Weininger A.; Weininger J.L. SMILES: 2. Algorithm for generation of unique SMILES notation. // J. Chem. Inf. Comput. Sci. - 1989. - V. 29, № 2. - P. 97-101. 205. Adamson G.W.; Bawden D. Substructural Analysis Techniques for Empirical Structure-Property Correlation. Application to Stereochemically Related Molecular Properties. // J. Chem. Inf. Comput. Sci. - 1980. - V. 20, № 2. - P. 97-100. 206. Adamson G.W.; Bawden D. Automated Additive Modeling Techniques Applied to Thermochemical Property Estimation. // J. Chem. Inf. Comput. Sci. - 1980. - V. 20, № 4. - P. 242-246. 207. Adamson G.W.; Bawden D. Comparison of Hierarchical Cluster Analysis Techniques for Automatic Classification of Chemical Structures. // J. Chem. Inf. Comput. Sci. - 1981. - V. 21, № 4. - P. 204-209. 208. Vidal D.; Thormann M.; Pons M. LINGO, an efficient holographic text based method to calculate biophysical properties and intermolecular similarities. // J. Chem. Inf. Model. - 2005. - V. 45, № 2. - P. 386-393. 332
209. Татевский В.М. Классическая теория строения молекул и квантовая механика. - Химия: M. - 1973. - 520 c. 210. Степанов Н.Ф.; Ерлыкина М.Е.; Филиппов Г.Г. Методы линейной алгебры в физической химии. - Изд-во Моск. ун-та: M. - 1976. - 359 c. 211. Benson S.W.; Cruickshank F.R.; Golden D.M.; Haugen G.R.; O'Neal H.E.; Rodgers A.S.; Shaw R.; Walsh R. Additivity rules for the estimation of thermochemical properties. // Chem. Rev. - 1969. - V. 69, № 3. - P. 279-324. 212. Adamson G.W.; Lynch M.F.; Town W.G. Analysis of Structural Characteristics of Chemical Compounds in a Large Computer-based File. Part II. Atom-Centered Fragments. // J. Chem. Soc. C. - 1971. - P. 3702-3706. 213. Adamson G.W.; Lambourne D.R.; Lynch M.F. Analysis of structural characteristics of chemical compounds in a large computer-based file. Part III. Statistical association of fragment incidence. // J. Chem. Soc., Perkin Trans. 1. - 1972. - P. 2428 - 2433. 214. Hodes L. Selection of molecular fragment features for structure-activity studies in antitumor screening. // J. Chem. Inf. Comput. Sci. - 1981. - V. 21, № 3. - P. 132- 136. 215. Poroikov V.V.; Filimonov D.A.; Borodina Y.V.; Lagunin A.A.; Kos A. Robustness of biological activity spectra predicting by computer program PASS for noncongeneric sets of chemical compounds. // J. Chem. Inf. Comput. Sci. - 2000. - V. 40, № 6. - P. 1349-1355. 216. Filimonov D.; Poroikov V.; Borodina Y.; Gloriozova T. Chemical Similarity Assessment through Multilevel Neighborhoods of Atoms: Definition and Comparison with the Other Descriptors. // J. Chem. Inf. Comput. Sci. - 1999. - V. 39, № 4. - P. 666-670. 217. Xing L.; Glen R.C. Novel methods for the prediction of logP, pKa, and logD. // J. Chem. Inf. Comput. Sci. - 2002. - V. 42, № 4. - P. 796-805. 218. Bender A.; Mussa H.Y.; Glen R.C.; Reiling S. Molecular Similarity Searching Using Atom Environments, Information-Based Feature Selection, and a Naive Bayesian Classifier. // J. Chem. Inf. Comput. Sci. - 2004. - V. 44, № 1. - P. 170-178. 333
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- Page 317 and 318: 31. Aoyama T.; Ichikawa H. Neural N
- Page 319 and 320: 54. Karelson M.; Dobchev D.A.; Kuls
- Page 321 and 322: 79. Carpenter G.A.; Grossberg S. A
- Page 323 and 324: 103. Ежов А.А.; Токаев
- Page 325 and 326: 126. Benson S.W.; Buss J.H. Additiv
- Page 327 and 328: 148. Fisanick W.; Lipkus A.H.; Rusi
- Page 329 and 330: 169. Klopman G.; Macina O.T.; Levin
- Page 331: 189. Nilakantan R.; Bauman N.; Dixo
- Page 335 and 336: ces and Related Descriptors in QSAR
- Page 337 and 338: 248. MOE, Molecular Operating Envir
- Page 339 and 340: 269. Estrada E.; Gonzalez H. What A
- Page 341 and 342: 288. Saigo H.; Kadowaki T.; Tsuda K
- Page 343 and 344: 309. Vladutz G. Modern Approaches t
- Page 345 and 346: 331. Rouvray D.H. Predicting Chemis
- Page 347 and 348: 352. Корн Г.; Корн Т. С
- Page 349 and 350: 374. Abraham M.H.; McGowan J.C. The
- Page 351 and 352: 394. Polanski J.; Gieleciak R.; Wys
- Page 353 and 354: 417. Goll E.S.; Jurs P.C. Predictio
- Page 355 and 356: ренции “Молекуляр
- Page 357 and 358: 454. Kobakhidze N.; Gverdtsiteli M.
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- Page 361 and 362: 499. Lohninger H. Evaluation of Neu
- Page 363 and 364: 517. Halberstam N.M.; Baskin I.I.;
- Page 365: СПИСОК ОБОЗНАЧЕНИЙ
209. Татевский В.М. Классическая теория строения молекул и квантовая механика.<br />
- Химия: M. - 1973. - 520 c.<br />
210. Степанов Н.Ф.; Ерлыкина М.Е.; Филиппов Г.Г. Методы линейной алгебры<br />
в физической химии. - Изд-во Моск. ун-та: M. - 1976. - 359 c.<br />
211. Benson S.W.; Cruickshank F.R.; Golden D.M.; Haugen G.R.; O'Neal H.E.;<br />
Rodgers A.S.; Shaw R.; Walsh R. Additivity rules for the estimation of thermochemical<br />
properties. // Chem. Rev. - 1969. - V. 69, № 3. - P. 279-324.<br />
212. Adamson G.W.; Lynch M.F.; Town W.G. Analysis of Structural Characteristics<br />
of Chemical Compounds in a Large Computer-based File. Part II. Atom-Centered<br />
Fragments. // J. Chem. Soc. C. - 1971. - P. 3702-3706.<br />
213. Adamson G.W.; Lambourne D.R.; Lynch M.F. Analysis of structural characteristics<br />
of chemical compounds in a large computer-based file. Part III. Statistical association<br />
of fragment incidence. // J. Chem. Soc., Perkin Trans. 1. - 1972. - P. 2428 -<br />
2433.<br />
214. Hodes L. Selection of molecular fragment features for structure-activity studies<br />
in antitumor screening. // J. Chem. Inf. Comput. Sci. - 1981. - V. 21, № 3. - P. 132-<br />
136.<br />
215. Poroikov V.V.; Filimonov D.A.; Borodina Y.V.; Lagunin A.A.; Kos A. Robustness<br />
of biological activity spectra predicting by computer program PASS for noncongeneric<br />
sets of chemical compounds. // J. Chem. Inf. Comput. Sci. - 2000. - V. 40, №<br />
6. - P. 1349-1355.<br />
216. Filimonov D.; Poroikov V.; Borodina Y.; Gloriozova T. Chemical Similarity<br />
Assessment through Multilevel Neighborhoods of Atoms: Definition and Comparison<br />
with the Other Descriptors. // J. Chem. Inf. Comput. Sci. - 1999. - V. 39, № 4. - P.<br />
666-670.<br />
217. Xing L.; Glen R.C. Novel methods for the prediction of logP, pKa, and logD. //<br />
J. Chem. Inf. Comput. Sci. - 2002. - V. 42, № 4. - P. 796-805.<br />
218. Bender A.; Mussa H.Y.; Glen R.C.; Reiling S. Molecular Similarity Searching<br />
Using Atom Environments, Information-Based Feature Selection, and a Naive Bayesian<br />
Classifier. // J. Chem. Inf. Comput. Sci. - 2004. - V. 44, № 1. - P. 170-178.<br />
333
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