Lovrics, Anna; Pape, Veronika; Szisz, Daniel; Kalaszi, Adrian; Heffeter, Petra; Magyar, Csaba; Szakács, Gergely
(2019)
Molecular descriptor (2D) and three dimensional (3D) shape based similarity methods are widely used in ligand based virtual drug design. In the present study pairwise structure comparisons among a set of 4858 DTP compounds ...