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. Author manuscript; available in PMC: 2021 Jul 16.
Published in final edited form as: J Chem Inf Model. 2020 Oct 29;60(12):6065–6073. doi: 10.1021/acs.jcim.0c00675

Figure 5. SmallWorld for whole-molecule similarity in ZINC.

Figure 5.

Left, the ZINC interface, that now routes similarity searches to SmallWorld. A new popup selector now also allows the selection by purchasability subset and/or building blocks. Right, the SmallWorld interface at sw.docking.org. The subset of ZINC to search is selected from the DataSet popup (middle left).