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A general graph neural network based implicit solvation model for organic molecules in water.

Authors :
Katzberger, Paul
Riniker, Sereina
Source :
Chemical Science; 7/28/2024, Vol. 15 Issue 28, p10794-10802, 9p
Publication Year :
2024

Details

Language :
English
ISSN :
20416520
Volume :
15
Issue :
28
Database :
Complementary Index
Journal :
Chemical Science
Publication Type :
Academic Journal
Accession number :
178469583
Full Text :
https://doi.org/10.1039/d4sc02432j