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1 Ergebnisse
1
Chemical Space Exploration with Active Learning and Alchemi..:
Khalak, Yuriy
;
Tresadern, Gary
;
Hahn, David F.
..
Journal of Chemical Theory and Computation. 18 (2022) 10 - p. 6259-6270 , 2022
Link:
https://doi.org/10.1021/acs.jctc.2c00752
RT Journal T1 <Title>Chemical Space Exploration with Active Learning and Alchemical Free Energies</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.2c00752&Exemplar=1&LAN=DE A1 Khalak, Yuriy A1 Tresadern, Gary A1 Hahn, David F. A1 de Groot, Bert L. A1 Gapsys, Vytautas PB American Chemical Society (ACS) YR 2022 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 18 IS 10 SP 6259 OP 6270 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.2c00752 DO https://doi.org/10.1021/acs.jctc.2c00752 SF ELIB - SuUB Bremen
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