"Efficient Exploration of Chemical Compound Space Using Active Learning for ..."

Yan Xiang et al. (2023)

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DOI: 10.1021/ACS.JCIM.3C01430

access: closed

type: Journal Article

metadata version: 2023-12-31

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  - https://dblp.org/rec/journals/jcisd/XiangTGLWLS23
Yan Xiang, Yu-Hang Tang, Zheng Gong, Hongyi Liu, Liang Wu, Guang Lin, Huai Sun:
Efficient Exploration of Chemical Compound Space Using Active Learning for Prediction of Thermodynamic Properties of Alkane Molecules. J. Chem. Inf. Model. 63(21): 6515-6524 (2023)

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