"Analysis of Training and Seed Bias in Small Molecules Generated with a ..."

Seung-gu Kang et al. (2022)

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DOI: 10.1021/ACS.JCIM.1C01545

access: open

type: Journal Article

metadata version: 2022-05-13

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Seung-gu Kang, Joseph A. Morrone, Jeffrey K. Weber, Wendy D. Cornell:
Analysis of Training and Seed Bias in Small Molecules Generated with a Conditional Graph-Based Variational Autoencoder─Insights for Practical AI-Driven Molecule Generation. J. Chem. Inf. Model. 62(4): 801-816 (2022)

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