. 2019 Jul 1;10:2903. doi: 10.1038/s41467-019-10827-4

Table 1.

Accuracy in predicting conformer energy differences on the GDB-10to13 benchmark

	ANI-1ccx	ANI-1ccx-R	ANI-1x	ωB97X
MAD^a	1.46	1.81	1.97	1.42
RMSD^a	2.07	2.54	2.79	2.04

^aUnits are in kcal mol⁻¹