Skip to main content
SpringerLink
Log in

Neural network modeling of substituent constants on the basis of fragmental descriptors

  • 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. Hammett, L.P., J. Am. Chem. Soc., 1937, vol. 59, pp. 96–103.

    Article  CAS  Google Scholar 

  2. Hansch, C., Leo, A., and Taft, R., Chem. Rev., 1991, vol. 91, pp. 165–195.

    Article  CAS  Google Scholar 

  3. Cherkasov, A.R., Galkin, V.I., and Cherkasov, R.A., Usp. Khim., 1996, vol. 65, pp. 695–711.

    CAS  Google Scholar 

  4. Ting-Lan Chiu and Sung-Sau, So, J. Chem. Inf. Comput. Sci., 2004, vol. 44, pp. 147–153.

    Google Scholar 

  5. Cherkasov, A. and Jonsson, M., J. Chem. Inf. Comput. Sci., 1998, vol. 38, pp. 1151–1156.

    CAS  Google Scholar 

  6. Galabov, B., Ilieva, S., and Schaefer, H., J. Org. Chem., 2006, vol. 71, pp. 6382–6387.

    Article  CAS  Google Scholar 

  7. Sullivan, J., Jones, D., and Tanji K., J. Chem. Inf. Comput. Sci., 2000, vol. 40, pp. 1113–1127.

    CAS  Google Scholar 

  8. Artemenko, N.V., Baskin, I.I., Palyulin, V.A., and Zefirov, N.S., Dokl. Chem., 2001, vol. 381, nos. 1–3, pp. 317–320 [Dokl. Akad. Nauk, 2001, vol. 381, no. 2, pp. 203–206].

    Article  Google Scholar 

  9. Baskin, I.I., Skvortsova, M.I., Stankevich, I.V., and Zefirov, N.S., J. Chem. Inf. Comput. Sci., 1995, vol. 35, pp. 527–531.

    CAS  Google Scholar 

  10. Artemenko, N.V., Baskin, I.I., Palyulin, V.A., and Zefirov, N.S., Izv. Akad. Nauk, Ser. Khim., 2003, pp. 19–28.

  11. Hansch, C., Leo, A., and Hoekman, D., Exploring QSAR. Hydrophobic, Electronic, and Steric Constants, Washington: ACS, 1995.

    Google Scholar 

  12. Baskin, I.I., Halberstam, N.M., Artemenko, N.V., Palyulin, V.A., and Zefirov, N.S., in EuroQSAR 2002. Designing Drugs and Crop Protectants: Processes, Problems and Solutions, Melbourne: Blackwell, 2003, pp. 260–263.

    Google Scholar 

  13. Zhokhova, N.I., Baskin, I.I., Palyulin, V.A., Zefirov, A.N., and Zefirov, N.S., Dokl. Chem., 2007, vol. 417, part 2, pp. 282–284 [Dokl. Akad. Nauk, 2007, vol. 417, no. 5, pp. 639–641].

    Article  CAS  Google Scholar 

  14. Baskin, I.I., Zhokhova, N.I., Palyulin, V.A., Zefirov, A.N., and Zefirov, N.S., Dokl. Chem., 2009, vol. 427, part 1, pp. 172–175 [Dokl. Akad. Nauk, 2009, vol. 427, no. 3, pp. 335–339].

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Moscow State University, Moscow, 119991, Russia

    M. N. Kurilo, P. V. Karpov, I. I. Baskin, V. A. Palyulin & N. S. Zefirov

Authors
  1. M. N. Kurilo
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. P. V. Karpov
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. I. I. Baskin
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. V. A. Palyulin
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. N. S. Zefirov
    View author publications

    You can also search for this author in PubMed Google Scholar

Additional information

Original Russian Text © M.N. Kurilo, P.V. Karpov, I.I. Baskin, V.A. Palyulin, N.S. Zefirov, 2010, published in Doklady Akademii Nauk, 2010, Vol. 431, No. 3, pp. 347–350.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Kurilo, M.N., Karpov, P.V., Baskin, I.I. et al. Neural network modeling of substituent constants on the basis of fragmental descriptors. Dokl Chem 431, 85–88 (2010). https://doi.org/10.1134/S0012500810030067

Download citation

  • Received:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S0012500810030067

Keywords

Search

Navigation