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. 2014 Feb 21;10(4):1652–1664. doi: 10.1021/ct4011129

Table 8. Statistics from Computed Dipole Moment Magnitudes for Single Molecules from the S66 and JSCH-2005 Data Sets.

statistical descriptors UBDB AM1-BCC RESP CGenFF
R2 0.94 0.93 0.99 0.88
RMSE (Debye) 0.56 0.68 0.46 0.92
MAE (Debye) 0.3 0.5 0.3 0.7
ME (Debye) 0.2 0.3 0.3 0.5