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Figure 12
Average errors of MM electrostatic potential values averaged over all molecular surfaces under study, (a) for intermolecular complexes of magnesium and (b) for the rest of the molecules. ME denotes mean error, MAE denotes mean absolute error and RMSE denotes root-mean-square error (Section 2.5[link]). Graphs are given on the same scale.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 57| Part 6| December 2024| Pages 1884-1895
https://doi.org/10.1107/S1600576724009841
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