Beware of ligand efficiency (LE): understanding LE data in modeling structure-activity and structure-economy relationships

por Polanski, Jaroslaw, Tkocz, Aleksandra, Kucia, Urszula
Publicado 2017

Molecular descriptor data explain market prices of a large commercial chemical compound library

por Polanski, Jaroslaw, Kucia, Urszula, Duszkiewicz, Roksana, Kurczyk, Agata, Magdziarz, Tomasz, Gasteiger, Johann
Publicado 2016