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Fig. 6 | Journal of Cheminformatics

Fig. 6

From: Gypsum-DL: an open-source program for preparing small-molecule libraries for structure-based virtual screening

Fig. 6

Example program output. Gypsum-DL outputs a deprotonated oseltamivir carboxylate, b both the ketone and enol forms of butan-2-one, c both the (R) and (S) enantiomers of bromochlorofluoroiodomethane, d both the E and Z isomers of 1-bromo-2-chloro-2-fluoro-1-iodoethene, e the twist-boat conformation of cis-1,4-di-tert-butylcyclohexane, and f only one rotomer of propan-1-ol. Image generated using BlendMol [33]

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