Virtual screening based on one-class classification

Doklady Chemistry

Volumn 437, Issue 2, 2011, Pages 107-111

  Karpov, P V ^a   Baskin, I I ^a   Palyulin, V A ^a   Zefirov, N S ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 79955950286     PISSN: 00125008     EISSN: None     Source Type: Journal    
DOI: 10.1134/S0012500811040082     Document Type: Article

References (11)

1. Chemoinformatics Approaches to Virtual Screening, Varnek, A. and Tropsha, A., Eds. Rhodes: RCS, 2008.
2. Skvortsova, M. I., Stankevich, I. V., Palyulin, V. A., and Zefirov, N. S., Usp. Khim., 2006, vol. 75, pp. 1074-1093.
3. Guha, R. and Van Drie, J. H., J. Chem. Inf. Model., 2008, vol. 48, pp. 646-658.
4. Bruno-Blanch, L. and Gálvez, R. G. D, Bioorg. Med. Chem. Lett., 2003, vol. 13, pp. 2749-2754.
5. Rodgers, S., J. Chem. Inf. Model., 2006, vol. 46, pp. 569-576.
6. Schölkopf, B., Platt, J. C., Shawe-Taylor, J., et al., Neural Comput., 2001, vol. 13, pp. 1443-1471.
7. Chih-Chung Chang and Chih-Jen Lin, LIBSVM: a Library for Support Vector Machines, 2001.
8. Artemenko, N. V., Baskin, I. I., Palyulin, V. A., and Zefirov, N. S. Dokl. Chem., 2001, vol. 381, pp. 317-320.
9. Carhart, R. E., Smith, D. H., and Venkataraghavan, R., J. Chem. Inf. Comput. Sci., 1985, vol. 25, pp. 64-73.
10. Huang, N., Shoichet, B. K., and Irwin, J. J., J. Med. Chem., 2006, vol. 49, pp. 6789-6801.
11. Fawcett, T., Pattern Recogn. Lett., 2006, vol. 27, pp. 861-874.