Skip to main content

Advertisement

SpringerLink
Log in

Method of continuous molecular fields in the one-class classification task

  • Chemistry
  • Published:
Doklady Chemistry Aims and scope Submit manuscript

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Subscribe and save

Springer+ Basic
$34.99 /Month
  • Get 10 units per month
  • Download Article/Chapter or eBook
  • 1 Unit = 1 Article or 1 Chapter
  • Cancel anytime
Subscribe now

Buy Now

Price includes VAT (Canada)

Instant access to the full article PDF.

Institutional subscriptions

References

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

    Article  Google Scholar 

  2. Baskin, I.I., Kireeva, N., and Varnek, A., Mol. Inf., 2010, vol. 29, pp. 581–587.

    Article  CAS  Google Scholar 

  3. Fechner, N., Jahn, A., Hinselmann, G., and Zell, A., J. Chemoinf., 2010, vol. 2, p. 2.

    Article  Google Scholar 

  4. Cramer, R.I., Patterson, D., and Bunce, J., J. Am. Chem. Soc., 1988, vol. 110, pp. 5959–5967.

    Article  CAS  Google Scholar 

  5. Zhokhova, N.I., Baskin, I.I., Bakhronov, D.K., Palyulin, V.A., and Zefirov, N.S., Dokl. Chem., 2009, vol. 429,part 1, pp. 273–276 [Dokl. Akad. Nauk, Ser. Khim., 2009, vol. 429, pp. 201–205].

    Article  CAS  Google Scholar 

  6. Kearsley, S.K. and Smith, G., Tetrahedron Comput. Met., 1990, vol. 3, no. 6(3), pp. 615–633.

    Article  CAS  Google Scholar 

  7. Chih-Chung Chang and Chih-Jen Lin., LIBSVM: a Library for Support Vector Machines, 2001.

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

    Article  CAS  Google Scholar 

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

    Article  Google Scholar 

  10. Johnson, S., The Nlopt Nonlinear-Optimization Package, http://ab-initio.mit.edu/nlopt

  11. Maggiora, G.M., J. Chem. Inf. Model., 2006, vol. 46, p. 1535.

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Moscow State University, Moscow, 119991, Russia

    P. V. Karpov, I. I. Baskin, N. I. Zhokhova & N. S. Zefirov

Authors
  1. P. V. Karpov
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. I. I. Baskin
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. N. I. Zhokhova
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. N. S. Zefirov
    View author publications

    You can also search for this author in PubMed Google Scholar

Additional information

Original Russian Text © P.V. Karpov, I.I. Baskin, N.I. Zhokhova, N.S. Zefirov, 2011, published in Doklady Akademii Nauk, 2011, Vol. 440, No. 4, pp. 480–483.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Karpov, P.V., Baskin, I.I., Zhokhova, N.I. et al. Method of continuous molecular fields in the one-class classification task. Dokl Chem 440, 263–265 (2011). https://doi.org/10.1134/S0012500811100016

Download citation

  • Received:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S0012500811100016

Keywords

Search

Navigation