ElGamacy, Mohammad Meervelt, Luc Van Additional file 6: of A fast topological analysis algorithm for large-scale similarity evaluations of ligands and binding pockets Linux and Windows builds of a testing implementation are provided along with walk-through test-usage instructions on an exemplary fingerprinting and dissimilarity calculation. The builds and instructions are available on https://github.com/ElGamacy/TopMap-SD . Topology comparisons;Ligand-based design;Binding pocket mapping;Virtual high-throughput screening 2015-08-20
    https://springernature.figshare.com/articles/dataset/Additional_file_6_of_A_fast_topological_analysis_algorithm_for_large-scale_similarity_evaluations_of_ligands_and_binding_pockets/4674199
10.6084/m9.figshare.c.3698152_D3.v1