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Virtual screening based on one-class classification

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References

  1. Chemoinformatics Approaches to Virtual Screening, Varnek, A. and Tropsha, A., Eds. Rhodes: RCS, 2008.

    Google Scholar 

  2. Skvortsova, M.I., Stankevich, I.V., Palyulin, V.A., and Zefirov, N.S., Usp. Khim., 2006, vol. 75, pp. 1074–1093.

    Google Scholar 

  3. Guha, R. and Van Drie, J.H., J. Chem. Inf. Model., 2008, vol. 48, pp. 646–658.

    Article  CAS  Google Scholar 

  4. Bruno-Blanch, L. and Gálvez, R.G.D, Bioorg. Med. Chem. Lett., 2003, vol. 13, pp. 2749–2754.

    Article  CAS  Google Scholar 

  5. Rodgers, S., J. Chem. Inf. Model., 2006, vol. 46, pp. 569–576.

    Article  CAS  Google Scholar 

  6. Schölkopf, B., Platt, J.C., Shawe-Taylor, J., et al., Neural Comput., 2001, vol. 13, pp. 1443–1471.

    Article  Google Scholar 

  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.

    Article  Google Scholar 

  9. Carhart, R.E., Smith, D.H., and Venkataraghavan, R., J. Chem. Inf. Comput. Sci., 1985, vol. 25, pp. 64–73.

    CAS  Google Scholar 

  10. Huang, N., Shoichet, B.K., and Irwin, J.J., J. Med. Chem., 2006, vol. 49, pp. 6789–6801.

    Article  CAS  Google Scholar 

  11. Fawcett, T., Pattern Recogn. Lett., 2006, vol. 27, pp. 861–874.

    Article  Google Scholar 

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Original Russian Text © P.V. Karpov, I.I. Baskin, V.A. Palyulin, N.S. Zefirov, 2011, published in Doklady Akademii Nauk, 2011, Vol. 437, No. 5, pp. 642–646.

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Karpov, P.V., Baskin, I.I., Palyulin, V.A. et al. Virtual screening based on one-class classification. Dokl Chem 437, 107–111 (2011). https://doi.org/10.1134/S0012500811040082

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