%0 Generic %A ElGamacy, Mohammad %A Meervelt, Luc Van %D 2015 %T Additional file 3: of A fast topological analysis algorithm for large-scale similarity evaluations of ligands and binding pockets %U https://springernature.figshare.com/articles/dataset/Additional_file_3_of_A_fast_topological_analysis_algorithm_for_large-scale_similarity_evaluations_of_ligands_and_binding_pockets/4674196 %R 10.6084/m9.figshare.c.3698152_D2.v1 %2 https://springernature.figshare.com/ndownloader/files/7627519 %K Topology comparisons %K Ligand-based design %K Binding pocket mapping %K Virtual high-throughput screening %X A tar archive containing the details of the enrichment results, including the individual query (uniquely retrieved actives and decoys at the 1% and 0.25% top fractions), averaged enrichment factors for all of the sets, number of unique ligands and decoys and the number of generated conformers. %I figshare