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. Author manuscript; available in PMC: 2018 Nov 15.
Published in final edited form as: J Comput Chem. 2017 Sep 22;38(30):2641–2663. doi: 10.1002/jcc.25052

Figure 7.

Figure 7

The 14 most frequently observed (a) sidechains, (b) linkers, and (c) scaffolds from the generic fragment library. The number below each fragment in (parentheses) indicates the number of occurrences in ~13M ZINC drug-like molecules. Purple atoms with labels indicate attachment points and their accompanying Sybyl mol2 bond types. Other atoms are colored as: white=hydrogen, tan=carbon, red=oxygen, blue=nitrogen, yellow=sulfur, green=fluorine, bright green=chlorine. Double and aromatic bonds are not shown. The entries marked with * denote the 15 most common fragments and were used as anchors to seed de novo growth.