"NEXTorch: A Design and Bayesian Optimization Toolkit for Chemical Sciences ..."

Yifan Wang, Tai-Ying Chen, Dionisios G. Vlachos (2021)

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DOI: 10.1021/ACS.JCIM.1C00637

access: closed

type: Journal Article

metadata version: 2023-09-30

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Yifan Wang, Tai-Ying Chen, Dionisios G. Vlachos:
NEXTorch: A Design and Bayesian Optimization Toolkit for Chemical Sciences and Engineering. J. Chem. Inf. Model. 61(11): 5312-5319 (2021)

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