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Octanol-water partition coefficient neural network prediction

Molnar, L, Keserii, G. M., Papp A., Gulyas, Z., Darvas, F. A neural network based prediction of octanol-water partition coefficients using atomicS fragmental descriptors. Bioorg. Med. Chtm. Lett. 2004, 14, 851-853. [Pg.379]

Breindl, A., Beck, B., Qark, T., Glen, R. C. Prediction of the n-octanol/water partition coefficient, log P, using a combination of semiempirical MO-calculations and a neural network. J. Mol. Model. 1997, 3, 142-155. [Pg.403]

Zheng, G., Huang, W.H., Lu, X.H. (2003) Prediction of n-octanol/water partition coefficients for polychlorinated dibenzo-p-dioxins using a general regression neural network. AnalBioanal. Chem. 376, 680-685. [Pg.1252]

Tetko IV, Tanchuk VY, Villa AE. Prediction of H-octanol/water partition coefficients from PHYSPROP database using artificial neural networks and E-state indices. J Chem Inf Comput Sci 2001 41 1407-21. [Pg.269]


See other pages where Octanol-water partition coefficient neural network prediction is mentioned: [Pg.337]    [Pg.339]    [Pg.344]    [Pg.345]    [Pg.115]    [Pg.323]    [Pg.323]   
See also in sourсe #XX -- [ Pg.344 , Pg.345 ]




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