Fig. 3: Pearson correlation coefficients between experimental and calculated changes in binding affinity. | Communications Biology

Fig. 3: Pearson correlation coefficients between experimental and calculated changes in binding affinity.

From: PremPLI: a machine learning model for predicting the effects of missense mutations on protein-ligand interactions

Fig. 3

a PremPLI trained and tested on S796 dataset, b ten times 5-fold and 10-fold cross-validations (CV1 and CV2), c leave-one-complex-out validation (CV3), and d leave-one-type-ligand-out validation (CV4). PCC Pearson correlation coefficient, RMSE (kcal mol−1) root-mean-square error.

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