The Comparative Molecular Surface Analysis (COMSA) - A Nongrid 3D QSAR Method by a Coupled Neural Network and PLS System: Predicting pKa Values of Benzoic and Alkanoic Acids.
Jaroslaw PolanskiRafal GieleciakAndrzej BakPublished in: J. Chem. Inf. Comput. Sci. (2002)