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1 Ergebnisse
1
Dataset Construction to Explore Chemical Space with 3D Geom..:
Jianing Lu (1439830)
;
Song Xia (3808810)
;
Jieyu Lu (10124828)
.
https://figshare.com/articles/journal_contribution/Dataset_Construction_to_Explore_Chemical_Space_with_3D_Geometry_and_Deep_Learning/14180023. , 2021
Link:
https://doi.org/10.1021/acs.jcim.1c00007.s001
RT Journal T1
Dataset Construction to Explore Chemical Space with 3D Geometry and Deep Learning
UL https://suche.suub.uni-bremen.de/peid=base-ftsmithonian:oai:figshare.com:article_14180023&Exemplar=1&LAN=DE A1 Jianing Lu (1439830) A1 Song Xia (3808810) A1 Jieyu Lu (10124828) A1 Yingkai Zhang (1292472) YR 2021 K1 Biophysics K1 Biochemistry K1 Biotechnology K1 Computational Biology K1 Biological Sciences not elsewhere classified K1 Mathematical Sciences not elsewhere classified K1 Chemical Sciences not elsewhere classified K1 CSD 20 K1 model development K1 dataset K1 energy prediction models K1 PhysNet architecture K1 crystal structures K1 test sets K1 data preparation protocol K1 optimized 3 D geometries K1 Dataset Construction K1 MMFF-optimized geometries K1 DFT K1 B 3LYP level K1 Plati 20 K1 Deep Learning K1 force field K1 3 D Geometry K1 Explore Chemical Space JF https://figshare.com/articles/journal_contribution/Dataset_Construction_to_Explore_Chemical_Space_with_3D_Geometry_and_Deep_Learning/14180023 LK http://dx.doi.org/https://doi.org/10.1021/acs.jcim.1c00007.s001 DO https://doi.org/10.1021/acs.jcim.1c00007.s001 SF ELIB - SuUB Bremen
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