Geidl, Stanislav Bouchal, Tomáš Raček, Tomáš Svobodová Vařeková, Radka Hejret, Václav Křenek, Aleš Abagyan, Ruben Koča, Jaroslav MOESM8 of High-quality and universal empirical atomic charges for chemoinformatics applications Additional file 8: Table S5. RMSD and $${\overline{\Delta }}$$ Δ ¯ values for OpenBabel and Balloon on the test set and extended test set. Partial atomic charges;Electronegativity Equalization Method;EEM;Quantum mechanics;QM;Drug-like molecules 2015-12-02
    https://springernature.figshare.com/articles/dataset/MOESM8_of_High-quality_and_universal_empirical_atomic_charges_for_chemoinformatics_applications/4675003
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