Qualitative prediction of blood–brain barrier permeability on a large and refined dataset Markus MuehlbacherGudrun M. SpitzerJohannes Kornhuber OriginalPaper Open access 23 November 2011 Pages: 1095 - 1106
A computational analysis of the binding mode of closantel as inhibitor of the Onchocerca volvulus chitinase: insights on macrofilaricidal drug design Aldo Segura-CabreraVirgilio Bocanegra-GarcíaMario A. Rodríguez-Pérez OriginalPaper 19 November 2011 Pages: 1107 - 1119
DemQSAR: predicting human volume of distribution and clearance of drugs Ozgur Demir-KavukJörg BentzienErnst-Walter Knapp OriginalPaper 20 November 2011 Pages: 1121 - 1133
Novel inhibitors to Taenia solium Cu/Zn superoxide dismutase identified by virtual screening P. García-GutiérrezA. Landa-PiedraA. Rojo-Domínguez OriginalPaper 04 December 2011 Pages: 1135 - 1145
Evaluating the applicability domain in the case of classification predictive models for carcinogenicity based on the counter propagation artificial neural network Natalja FjodorovaMarjana NovičEmilio Benfenati OriginalPaper 03 December 2011 Pages: 1147 - 1158
Some findings relevant to the mechanistic interpretation in the case of predictive models for carcinogenicity based on the counter propagation artificial neural network Natalja FjodorovaMarjana Novič OriginalPaper 03 December 2011 Pages: 1159 - 1169
Druggability of methyl-lysine binding sites C. SantiagoK. NguyenM. Schapira OriginalPaper 07 December 2011 Pages: 1171 - 1178