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259. Baskin I.I.; Skvortsova M.I.; Stankevich I.V.; Zefirov N.S. On the Basis of Invariants of Labeled Molecular Graphs. // J. Chem. Inf. Comput. Sci. - 1995. - V. 35, № 3. - P. 527-531. 260. Skvortsova M.I.; Baskin I.I.; Skvortsov L.A.; Palyulin V.A.; Zefirov N.S.; Stankevich I.V. Chemical graphs and their basis invariants. // J. Mol. Struct. Theochem. - 1999. - V. 466. - P. 211-217. 261. Скворцова М.И.; Федяев К.С.; Баскин И.И.; Палюлин В.А.; Зефиров Н.С. Новый способ кодирования химических структур на основе базисных фрагментов. // Докл. РАН. - 2002. - Т. 382, № 5. - С. 645-648. 262. Скворцова М.И.; Федяев К.С.; Палюлин В.А.; Зефиров Н.С. Моделирование связи между структурой и свойствами углеводородов на основе базисных топологических дескрипторов. // Изв. РАН, Сер. хим. - 2004. - № 8. - С. 1527- 1535. 263. Estrada E. Spectral Moments of the Edge Adjacency Matrix in Molecular Graphs. 1. Definition and Applications to the Prediction of Physical Properties of Alkanes. // J. Chem. Inf. Comput. Sci. - 1996. - V. 36, № 4. - P. 844-849. 264. Estrada E. Spectral Moments of the Edge-Adjacency Matrix of Molecular Graphs. 2. Molecules Containing Heteroatoms and QSAR Applications. // J. Chem. Inf. Comput. Sci. - 1997. - V. 37, № 2. - P. 320-328. 265. Estrada E. Spectral Moments of the Edge Adjacency Matrix in Molecular Graphs. 3. Molecules Containing Cycles. // J. Chem. Inf. Comput. Sci. - 1998. - V. 38, № 1. - P. 23-27. 266. Estrada E.; Pena A.; Garcia-Domenech R. Designing sedative/hypnotic compounds from a novel substructural graph-theoretical approach. // J Comput Aided Mol Des. - 1998. - V. 12, № 6. - P. 583-595. 267. Estrada E.; Gutierrez Y. Modeling chromatographic parameters by a novel graph theoretical sub-structural approach. // Journal of Chromatography A. - 1999. - V. 858, № 2. - P. 187-199. 268. Estrada E.; Gutierrez Y.; Gonzalez H. Modeling Diamagnetic and Magnetooptic Properties of Organic Compounds with the TOSS-MODE Approach. // J. Chem. Inf. Comput. Sci. - 2000. - V. 40, № 6. - P. 1386-1399. 338
269. Estrada E.; Gonzalez H. What Are the Limits of Applicability for Graph 2Theoretic Descriptors in QSPR/QSAR? Modeling Dipole Moments of Aromatic Compounds with TOPS-MODE Descriptors. // J. Chem. Inf. Comput. Sci. - 2003. - V. 43, № 1. - P. 75-84. 270. Gonzalez M.P.; Helguera A.M.; Diaz H.G. A TOPS-MODE approach to predict permeability coefficients. // Polymer. - 2004. - V. 45, № 6. - P. 2073-2079. 271. Estrada E.; Molina E.; Perdomo-Lopez I. Can 3D Structural Parameters Be Predicted from 2D (Topological) Molecular Descriptors? // J. Chem. Inf. Comput. Sci. - 2001. - V. 41, № 4. - P. 1015-1021. 272. Estrada E.; Uriarte E.; Montero A.; Teijeira M.; Santana L.; De Clercq E. A novel approach for the virtual screening and rational design of anticancer compounds. // J Med Chem. - 2000. - V. 43, № 10. - P. 1975-1985. 273. Estrada E.; Vilar S.; Uriarte E.; Gutierrez Y. In Silico Studies toward the Discovery of New Anti-HIV Nucleoside Compounds with the Use of TOPS-MODE and 2D/3D Connectivity Indices. 1. Pyrimidyl Derivatives. // J. Chem. Inf. Comput. Sci. - 2002. - V. 42, № 5. - P. 1194-1203. 274. Estrada E.; Patlewicz G.; Gutierrez Y. From Knowledge Generation to Knowledge Archive. A General Strategy Using TOPS-MODE with DEREK To Formulate New Alerts for Skin Sensitization. // J. Chem. Inf. Comput. Sci. - 2004. - V. 44, № 2. - P. 688-698. 275. Gonzalez M.P.; Diaz H.G.; Ruiz R.M.; Cabrera M.A.; de Armas R.R. TOPS- MODE based QSARs derived from heterogeneous series of compounds. Applications to the design of new herbicides. // J. Chem. Inf. Comput. Sci. - 2003. - V. 43, № 4. - P. 1192-1199. 276. Gonzalez M.P.; Moldes M.D.T. QSAR study of N-6-(substitutedphenylcarbamoyl) adenosine-5 '-uronamides as agonist for A(1) adenosine receptors. // Bull. Math. Biol. - 2004. - V. 66, № 4. - P. 907-920. 277. Gonzalez M.P.; Dias L.C.; Helguera A.M.; Rodriguez Y.M.; de Oliveira L.G.; Gomez L.T.; Diaz H.G. TOPS-MODE based QSARs derived from heterogeneous series of compounds. Applications to the design of new anti-inflammatory compounds. // Bioorganic & Medicinal Chemistry. - 2004. - V. 12, № 16. - P. 4467-4475. 339
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- 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 and 332: 189. Nilakantan R.; Bauman N.; Dixo
- Page 333 and 334: 209. Татевский В.М. Кл
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- Page 337: 248. MOE, Molecular Operating Envir
- 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
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- Page 365: СПИСОК ОБОЗНАЧЕНИЙ
269. Estrada E.; Gonzalez H. What Are the Limits of Applicability for Graph<br />
2Theoretic Descriptors in QSPR/QSAR? Modeling Dipole Moments of Aromatic<br />
Compounds with TOPS-MODE Descriptors. // J. Chem. Inf. Comput. Sci. - 2003. -<br />
V. 43, № 1. - P. 75-84.<br />
270. Gonzalez M.P.; Helguera A.M.; Diaz H.G. A TOPS-MODE approach to predict<br />
permeability coefficients. // Polymer. - 2004. - V. 45, № 6. - P. 2073-2079.<br />
271. Estrada E.; Molina E.; Perdomo-Lopez I. Can 3D Structural Parameters Be<br />
Predicted from 2D (Topological) Molecular Descriptors? // J. Chem. Inf. Comput.<br />
Sci. - 2001. - V. 41, № 4. - P. 1015-1021.<br />
272. Estrada E.; Uriarte E.; Montero A.; Teijeira M.; Santana L.; De Clercq E. A<br />
novel approach for the virtual screening and rational design of anticancer compounds.<br />
// J Med Chem. - 2000. - V. 43, № 10. - P. 1975-1985.<br />
273. Estrada E.; Vilar S.; Uriarte E.; Gutierrez Y. In Silico Studies toward the Discovery<br />
of New Anti-HIV Nucleoside Compounds with the Use of TOPS-MODE and<br />
2D/3D Connectivity Indices. 1. Pyrimidyl Derivatives. // J. Chem. Inf. Comput. Sci.<br />
- 2002. - V. 42, № 5. - P. 1194-1203.<br />
274. Estrada E.; Patlewicz G.; Gutierrez Y. From Knowledge Generation to Knowledge<br />
Archive. A General Strategy Using TOPS-MODE with DEREK To Formulate<br />
New Alerts for Skin Sensitization. // J. Chem. Inf. Comput. Sci. - 2004. - V. 44, № 2.<br />
- P. 688-698.<br />
275. Gonzalez M.P.; Diaz H.G.; Ruiz R.M.; Cabrera M.A.; de Armas R.R. TOPS-<br />
MODE based QSARs derived from heterogeneous series of compounds. Applications<br />
to the design of new herbicides. // J. Chem. Inf. Comput. Sci. - 2003. - V. 43, № 4. -<br />
P. 1192-1199.<br />
276. Gonzalez M.P.; Moldes M.D.T. QSAR study of N-6-(substitutedphenylcarbamoyl)<br />
adenosine-5 '-uronamides as agonist for A(1) adenosine receptors.<br />
// Bull. Math. Biol. - 2004. - V. 66, № 4. - P. 907-920.<br />
277. Gonzalez M.P.; Dias L.C.; Helguera A.M.; Rodriguez Y.M.; de Oliveira L.G.;<br />
Gomez L.T.; Diaz H.G. TOPS-MODE based QSARs derived from heterogeneous series<br />
of compounds. Applications to the design of new anti-inflammatory compounds.<br />
// Bioorganic & Medicinal Chemistry. - 2004. - V. 12, № 16. - P. 4467-4475.<br />
339
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