Predicting pKa values from EEM atomic charges

Radka Svobodová Vareková, Stanislav Geidl, Crina-Maria Ionescu, Ondrej Skrehota, Tomás Bouchal, David Sehnal, Ruben Abagyan, Jaroslav Koca. Predicting pKa values from EEM atomic charges. J. Cheminformatics, 5:18, 2013. [doi]

Abstract

Abstract is missing.