Similar compounds versus similar conformers: complementarity between PubChem 2-D and 3-D neighboring sets

Sunghwan Kim 0002, Evan Bolton, Stephen H. Bryant. Similar compounds versus similar conformers: complementarity between PubChem 2-D and 3-D neighboring sets. J. Cheminformatics, 8(1), 2016. [doi]

Authors

Sunghwan Kim 0002

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Evan Bolton

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Stephen H. Bryant

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