References
- Karcher , W. and Devillers , J. 1990 . Practical Applications of Quantitative Structure-Activity Relationships (QSAR) in Environmental Chemistry and Toxicology. , 475 Dordrecht : Kluwer Academic Publishers .
- Klopman , G. , Li , J.-Y. , Wang , S. and Dimayuga , M. 1994 . Computer automated log P calculations based on an extended group contribution approach. . J. Chem. Inf. Comput. Sci. , 34 : 752 – 781 .
- Devillers , J. , Domine , D. , Guillon , C. , Bintein , S. and Karcher , W. 1997 . Prediction of partition coefficients (logP oct) using autocorrelation descriptors. . SAR QSAR Environ. Res. , 7 ( 1–4 ) : 151 – 172 .
- Devillers , J. , Domine , D. , Guillon , C. and Karcher , W. 1997 . Simulating lipophilicity with a backpropagation neural network (submitted).
- Leo , A. , Hansch , C. and Elkins , D. Partition coefficients and their uses. . Chem. Rev. , 71 525 – 616 .
- Hansch , C. and Leo , A. 1979 . Substituent Constants for Correlation Analysis in Chemistry and Biology. , 339 New York : J. Wiley and Sons. .
- Suzuki , T. and Kudo , Y. 1990 . Automatic log P estimation based on combined additive modeling methods. . J. Comput.-Aided Mol. Design , 4 : 155 – 198 .
- Viswanadhan , V. N. , Ghose , A. K. , Revankar , G. R. and Robins , R. K. 1989 . Atomic physicochemical parameters for three-dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nuclcoside antibiotics. . J. Chem. Inf. Comput. Sci. , 29 : 163 – 172 .
- Viswanadhan , V. N. , Reddy , M. R. , Bacquet , R. J. and Erion , M. D. 1993 . Assessment of methods used for predicting lipophilicity: Application to nucleosides and nucleoside bases. . J. Comput. Chem. , 14 : 1019 1026
- Klopman , G. 1984 . Artificial intelligence approach to structure-activity studies Computer automated structure evaluation of biological activity of organic molecules. . J. Am. Chem. Soc. , 106 : 7315 – 7321 .
- Hansch , C. , Leo , A. and Hockman , D. 1995 . Exploring QSAR. Hydrophobic, Electronic, and Steric Constants , 348 Washington, DC : American Chemical Society .
- Hair , J. F. , Anderson , R. E. , Tatham , R. L. and Black , W. C. 1992 . Mutivariate Data Analysis with Readings. , 544 New York : Macmillan Publishing Company .
- Meylan , W. M. and Howard , P. H. 1995 . Atom/fragment contribution method for estimating octanol-water partition coefficients. . J. Pharm. Sci. , 84 : 83 – 92 .
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