Fig. 5

Fragmentation of ChEMBL compounds. A The bar plot shows the amount of ChEBML compounds by the number of fragments obtained after fragmentation. Most of the compounds are fragmented from 2 to 6 fragments. B The bar plot shows the frequency of fragments among the compounds. Most of them are unique for one compound, but others are highly frequent. C The venn diagram shows the overlapping fragments between both sources PDB and ChEMBL