High-quality and universal empirical atomic charges for chemoinformatics applications

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Authors: Stanislav Geidl, Tomáš Bouchal, Tomáš Raček, Radka Svobodová Vařeková, Václav Hejret, Aleš Křenek, Ruben Abagyan, Jaroslav Koča

Journal title: Journal of Cheminformatics

Journal number: 17582946

Journal publisher: Chemistry Central

Published year: 2015

DOI identifier: 10.1186/s13321-015-0107-1

ISSN: 1758-2946