References
Halberstam, N.M., Baskin, I.I., Palyulin, V.A., and Zefirov, N.S., Mendeleev Commun., 2002, vol. 12, no. 5, pp. 185–186.
Hiob, R. and Karelson, M., Comput. Chem., 2002, vol. 26, pp. 237–243.
Kravtsov, A.A., Karpov, P.V., Baskin, I.I., Palyulin, V.A., and Zefirov, N.S., Dokl. Chem., 2011, vol. 440,part 2, pp. 770–772.
Palm, V.A., Osnovy kolichestvennoi teorii organicheskikh reaktsii (Fundamentals of Quantitative Theory of Organic Reactions), Leningrad: Khimiya, 1977.
Itogi Nauki Tekh., Ser. Obshch. Vopr. Org. Khim., 1977, vol. 3, part 1.
Vapnik, V., The Nature of Statistical Learning Theory, Berlin: Springer, 1995.
Chang, C.C. and Lin, C.-J., LIBSVM: a Library for Support Vector Machines, 2001. http://www.csie.ntu.edu.tw/~cjlin/libsvm.
Kravtsov, A.A., Karpov, P.V., Baskin, I.I., Palyulin, V.A., and Zefirov, N.S., Dokl. Chem., 2007, vol. 414, part 1, pp. 128–131.
Artemenko, N.V., Baskin, I.I., Palyulin, V.A., and Zefirov, N.S., Dokl. Chem., 2001, vol. 381, nos. 1–3, pp. 317–320.
Zefirov, N.S. and Palyulin, V.A., J. Chem. Inf. Comput. Sci., 2002, vol. 42, pp. 1112–1122.
Mortier, W.J., Genechten, K.V., and Gasteiger, J., J. Am. Chem. Soc., 1985, vol. 107, pp. 829–835.
Sanderson, R.T., J. Am. Chem. Soc., 1983, vol. 105, pp. 2259–2261.
Fukui, K., Yonezawa, T., and Shingu, H., J. Chem. Phys., 1952, vol. 20, pp. 722–725.
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, Ford, M. et al., Eds., Melbourne: Blackwell, 2003, pp. 260–263.
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Original Russian Text © A.A. Kravtsov, P. Karpov, I.I. Baskin, V.A. Palyulin, N.S. Zefirov, 2011, published in Doklady Akademii Nauk, 2011, Vol. 441, No. 1, pp. 57–60.
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Kravtsov, A.A., Karpov, P.V., Baskin, I.I. et al. Prediction of the preferable mechanism of nucleophilic substitution at saturated carbon atom and prognosis of S N 1 rate constants by means of QSPR. Dokl Chem 441, 314–317 (2011). https://doi.org/10.1134/S0012500811110048
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DOI: https://doi.org/10.1134/S0012500811110048