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. 2022 Mar 2;62(5):1178–1189. doi: 10.1021/acs.jcim.1c01250

Table 1. Distinct Configurations of Convolutional Layers Respond Differentially to Mechanisms of Molecular Recognitiona.

layer configuration test ROC AUC
l→l→l→l→l→l 0.67
lr→lr→lr→lr→lr→lr 0.91
l→l→r→l→r→l 0.91
l→l→r→l→r→l→r→l 0.92
a

Test AUC for distinct convolutional layer configurations in ANPR. Test AUCs were computed from classifying poses obtained from self-docking on the PDBbind data set Uniprot split.