"Toward Reducing hERG Affinities for DAT Inhibitors with a Combined Machine ..."

Kuo-Hao Lee et al. (2021)

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DOI: 10.1021/ACS.JCIM.1C00856

access: closed

type: Journal Article

metadata version: 2021-11-03

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Kuo-Hao Lee, Andrew D. Fant, Jiqing Guo, Andy Guan, Joslyn Jung, Mary Kudaibergenova, Williams E. Miranda, Therese Ku, Jianjing Cao, Soren Wacker, Henry J. Duff, Amy Hauck Newman, Sergei Yu Noskov, Lei Shi:
Toward Reducing hERG Affinities for DAT Inhibitors with a Combined Machine Learning and Molecular Modeling Approach. J. Chem. Inf. Model. 61(9): 4266-4279 (2021)

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