Predicting pK(a) values from EEM atomic charges  Open access

JOURNAL OF CHEMINFORMATICS

Varekova, RS; Geidl, S; Ionescu, CM; Skrehota, O; Bouchal, T; Sehnal, D; Abagyan, R; Koca, J, 2013: Predicting pK(a) values from EEM atomic charges. JOURNAL OF CHEMINFORMATICS 5, doi: 10.1186/1758-2946-5-18