How the methodology of 3D structure preparation influences the quality of QSPR models?

by Geidl Stanislav, Beránek Roman, Vařeková Radka, Bouchal Tomáš, Brumovský Miroslav, Kudera Michal, Skřehota Ondřej, Koča Jaroslav
Published 2012-05-01

QSPR designer – employ your own descriptors in the automated QSAR modeling process

by Skřehota Ondřej, Vařeková Radka, Geidl Stanislav, Kudera Michal, Sehnal David, Ionescu Crina-Maria, Žídek Jan, Koča Jaroslav
Published 2012-05-01