13321_2015_107_MOESM8_ESM.xlsx (9.51 kB)
MOESM8 of High-quality and universal empirical atomic charges for chemoinformatics applications
dataset
posted on 2015-12-02, 05:00 authored by Stanislav Geidl, Tomáš Bouchal, Tomáš Raček, Radka Svobodová Vařeková, Václav Hejret, Aleš Křenek, Ruben Abagyan, Jaroslav KočaAdditional file 8: Table S5. RMSD and $${\overline{\Delta }}$$ Δ ¯ values for OpenBabel and Balloon on the test set and extended test set.
