Chemistry Reference
In-Depth Information
26. Golub, G.H.; Reinsch, C. Singular value decomposition and least squares solutions.
Numer. Math. 1970, 14, 403-420.
27. Frank, E.; Hall, M.; Trigg, L.; Holmes, G.; Witten, I.H. Data mining in bioinformatics
using Weka. Bioinformatics 2004, 20 (15), 2479-2481.
28. Tetko, I.V. Associative neural network. Neural Process. Lett. 2002, 16 (2), 187-199.
29. Tetko, I.V. Neural network studies. 4. Introduction to associative neural networks. J.
Chem. Inf. Comp. Sci. 2002, 42 (3), 717-728.
30. Vapnik, V.N. Statistical Learning Theory. John Wiley & Sons: New York, 1998.
31. Ivanciuc, O. Applications of support vector machines in chemistry. In Reviews in
Computational Chemistry , Lipkowitz, K.B.; Cundari, T.R. Eds. Wiley-VCH: Weinheim,
2007; Vol. 23, pp. 291-400.
32. Oprea, T.I.; Waller, C.L.; Marshall, G.R. Three-dimensional quantitative structure-activ-
ity relationship of human immunodeficiency virus (I) protease inhibitors. 2. Predictive
power using limited exploration of alternate binding modes. J. Med. Chem. 1994, 37
(14), 2206-2215.
33. Tropsha, A.; Gramatica, P.; Gombar, V.K. The importance of being earnest: Validation
is the absolute essential for successful application and interpretation of QSPR models.
QSAR Comb. Sci. 2003, 22 (1), 69-77.
34. Grubbs, F.E. Procedures for detecting outlying observations in samples. Technometrics
1969, 11 (1), 1-21.
35. Muller, P.H.; Neumann, P.; Storm, R. Tafeln der mathematischen Statistik . VEB
Fachbuchverlag: Leipzip, 1979.
36. Tetko, I.V.; Solov'ev, V.P.; Antonov, A.V.; Yao, X.J.; Fan, B.T.; Hoonakker, F.; Fourches,
D.; Lachiche, N.; Varnek, A. Benchmarking of linear and non-linear approaches for
quantitative structure-property relationship studies of metal complexation with organic
ligands. J. Chem. Inf. Model. 2006, 46 (2), 808-819.
37. Katritzky, A.R.; Kuanar, M.; Slavov, S.; Dobchev, D.A.; Fara, D.C.; Karelson, M.;
Acree, W.E. Jr.; Solov'ev, V.P.; Varnek, A. Correlation of blood-brain penetration using
structural descriptors. Bioorg. Med. Chem. 2006, 14 (14), 4888-4917.
38. Solov'ev, V.P.; Kireeva, N.V.; Tsivadze, A.Y.; Varnek, A.A. Structure-property model-
ling of complex formation of strontium with organic ligands in water. J. Struct. Chem.
2006, 47 (2), 298-311.
39. Tetko, I.V.; Bruneau, P.; Mewes, H.-W.; Rohrer, D.C.; Poda, G.I. Can we estimate the
accuracy of ADME-Tox predictions? Drug Discov. Today 2006, 11 (15/16), 700-707.
40. Katritzky, A.R.; Fara, D.C.; Yang, H.; Karelson, M.; Suzuki, T.; Solov'ev, V.P.; Varnek,
A. Quantitative structure-property relationship modeling of beta-cyclodextrin compl-
exation free energies. J. Chem. Inf. Comp. Sci. 2004, 44 (2), 529-541.
41. Solov'ev, V.P.; Vnuk, E.A.; Strakhova, N.N.; Raevsky, O.A. Thermodynamics of
Complexation of the Macrocyclic Polyethers with Salts of Alkali and Alkaline-Earth
Metals (Russ.) . VINITI: Moscow, 1991.
42. Martinov,B.V. ExtractionbyOrganicAcidsandtheirSalts(Russ.) .ENERGOATOMIZDAT:
Moscow, 1989.
43. Mejov, E.A. Handbook on Extraction by Amines and Quaternary Ammonium Bases
(Russ.) . ENERGOATOMIZDAT: Moscow, 1987.
44. Mejov, E.A. Handbook on Extraction by Amines and Quaternary Ammonium Bases
(Russ.) . ENERGOATOMIZDAT: Moscow, 1999.
45. Nikolotova, Z.I. Handbook on Extraction of Lanthanides and Actinides by Neutral
Extractants (Russ.) . ENERGOATOMIZDAT: Moscow, 1987.
46. Nikolotova, Z.I. Extraction of Lanthanides and Actinides by Neutral Extractants (Russ.) .
ENERGOATOMIZDAT: Moscow, 1999.
47. Handbook on Solvent Extraction (Russ.) . A.M. Rozen, Ed., ATOMIZDAT: Moscow,
1976; Vol. 1-3.
Search WWH ::




Custom Search