Interpreting Computational Neural Network Quantitative Structure−Activity Relationship Models: A Detailed Interpretation of the Weights and Biases
Tóm tắt
Từ khóa
Tài liệu tham khảo
Guha R., 2004, J. Chem. Inf. Comput. Sci., 44, 2189
Guha R., 2004, J. Chem. Inf. Comput. Sci., 44, 1449
Breiman L, 2001, Mach. Learning, 45, 32
Breiman L., 1984, Classification and Regression Trees
Hawkins D. M., 1998, Comput. Sci. Stat., 30, 542
Chipman H. A., 1998, Comput. Sci. Stat., 30, 92
Urbanek S., Proc. 2002 Joint Statistical Meeting
Bologna G., 2000, Proc. Sixth Brazilian Symposium on Neural Networks;
Yao S., 1996, Proc. Fifth IEEE Intl. Conf.;
Tickle A. B., 1997, Intl. Conf.;
Sato M., 2001, Intl. Joint Conf.;
Mak B., 1998, IEEE Trans. Syst., Man Cybernetics C, 28, 564
Haykin S., 2001, Neural Networks
Hornik K, 1993, Neural Networks, 6, 1072
Garson D, 1991, AI Expert, 47, 51
Goll E. S., 1999, J. Chem. Inf. Comput. Sci., 39, 983
Stanton D. T., 2004, J. Chem. Inf. Comput. Sci., 44, 1023
Mattioni, B. E. The development of quantitative structure−activity relationship models for physical property and biological activity prediction of organic compounds. Ph.D. Thesis, Pennsylvania State University, University Park, PA, 2003.
Gratten J. A., 1997, J. Pharm. Pharmacol., 49, 1216
Audus K. L., 1992, Adv. Drug Res., 23, 64
Ishibuchi H., 1999, Fuzzy Systems Conference Proc., IEEE International;
Chen P. C. Y., 1997, International Conference;
Siu K.-Y., 1992, Intl. Joint Conf.;
Fu X., 2001, Proc. of the 2001 Congress on;
Kier L. B., 1976, Molecular Connectivity in Chemistry and Drug Research
Kier L. B., 1975, J. Pharm. Sci., 64
Kier L. B., 1986, Molecular connectivity in structure activity analysis
Kier L. B., 1976, J. Pharm. Sci., 65, 1809