"Impact of Chemist-In-The-Loop Molecular Representations on Machine ..."

Todd J. Wills et al. (2020)

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DOI: 10.1021/ACS.JCIM.0C00193

access: closed

type: Journal Article

metadata version: 2021-09-01

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Todd J. Wills, Dmitrii A. Polshakov, Matthew C. Robinson, Alpha A. Lee:
Impact of Chemist-In-The-Loop Molecular Representations on Machine Learning Outcomes. J. Chem. Inf. Model. 60(10): 4449-4456 (2020)

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