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. 2019 Nov 12;11:69. doi: 10.1186/s13321-019-0391-2

Fig. 8.

Fig. 8

Generalization ability results: Mean absolute error for each functional groups subsets vs the number of molecules with the functional group on the test set. The blue dots (red triangles) represent predictions by a model trained on QM9 (PC9) on the other dataset PC9 (QM9)