2 research outputs found
MOESM2 of Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screening
Additional file 2. Experimental procedures for the biochemical assay
MOESM1 of Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screening
Additional file 1. Ring fragments and their corresponding clusters