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1 Ergebnisse
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Efficient Exploration of Chemical Compound Space Using Acti..:
Xiang, Yan
;
Tang, Yu-Hang
;
Gong, Zheng
...
Journal of Chemical Information and Modeling. 63 (2023) 21 - p. 6515-6524 , 2023
Link:
https://doi.org/10.1021/acs.jcim.3c01430
RT Journal T1 <Title>Efficient Exploration of Chemical Compound Space Using Active Learning for Prediction of Thermodynamic Properties of Alkane Molecules</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jcim.3c01430&Exemplar=1&LAN=DE A1 Xiang, Yan A1 Tang, Yu-Hang A1 Gong, Zheng A1 Liu, Hongyi A1 Wu, Liang A1 Lin, Guang A1 Sun, Huai PB American Chemical Society (ACS) YR 2023 SN 1549-9596 SN 1549-960X JF Journal of Chemical Information and Modeling VO 63 IS 21 SP 6515 OP 6524 LK http://dx.doi.org/https://doi.org/10.1021/acs.jcim.3c01430 DO https://doi.org/10.1021/acs.jcim.3c01430 SF ELIB - SuUB Bremen
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