Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screening

por Gladysz, Rafaela, Dos Santos, Fabio Mendes, Langenaeker, Wilfried, Thijs, Gert, Augustyns, Koen, De Winter, Hans
Publicado 2018

The power metric: a new statistically robust enrichment-type metric for virtual screening applications with early recovery capability

por Lopes, Julio Cesar Dias, dos Santos, Fábio Mendes, Martins-José, Andrelly, Augustyns, Koen, De Winter, Hans
Publicado 2017