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. 2021 Dec 2;12:7022. doi: 10.1038/s41467-021-27340-2

Fig. 8. Performance of the artificial intelligence–quantum mechanical method 1 (AIQM1) for noncovalent interactions.

Fig. 8

Selection of complexes with errors ranging from smallest to median to largest values for a the S66x8 benchmark and b the WATER27 benchmark. In the figure, interaction energies are shown in kcal/mol, black at reference and red at AIQM1. Other numbers such as in “(1.25) ethyne⋅⋅⋅ethyne (TS)” correspond to the scaling of the distance between monomers relative to equilibrium structures as used for construction of the S66x8 set.