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1 Ergebnisse
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Machine learning of free energies in chemical compound spac..:
Weinreich, Jan
;
Browning, Nicholas J.
;
von Lilienfeld, O. Anatole
The Journal of Chemical Physics. 154 (2021) 13 - p. , 2021
Link:
https://doi.org/10.1063/5.0041548
RT Journal T1
Machine learning of free energies in chemical compound space using ensemble representations: Reaching experimental uncertainty for solvation
UL https://suche.suub.uni-bremen.de/peid=cr-10.1063_5.0041548&Exemplar=1&LAN=DE A1 Weinreich, Jan A1 Browning, Nicholas J. A1 von Lilienfeld, O. Anatole PB AIP Publishing YR 2021 SN 0021-9606 SN 1089-7690 JF The Journal of Chemical Physics VO 154 IS 13 LK http://dx.doi.org/https://doi.org/10.1063/5.0041548 DO https://doi.org/10.1063/5.0041548 SF ELIB - SuUB Bremen
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