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. 2014 May 7;9(7):1528–1535. doi: 10.1021/cb5001636

Table 2. Number of Diverse Fragments Tiling Biologically Relevant Small Molecules.

biological space molecules purchasable fragmentsa dissimilar fragmentsa
(1) FDA approved drugs 1,948 15,096 6,019
(2) FDA approved drugs + metabolites 57,203 89,482 27,205
(3) FDA approved drugs + metabolites + natural products 251,353 117,526 32,373
a

This column counts only fragments also matching bioactive molecules (see Methods). ZINC codes and SMILES strings for each fragment subset (column 4) are available as Supporting Information and at http://zinc.docking.org/full_space_fragments.