Scoring protein-ligand binding structures through learning atomic graphs with inter-molecular adjacency

doi:10.1371/journal.pcbi.1013074

Scoring protein-ligand binding structures through learning atomic graphs with inter-molecular adjacency

Fig 12

Principal component plots of feature embeddings in the AGIMA-Score⁸ model.

-PC1 vs. -PC1 plots for the validation set are shown. Different thresholds of binding strength were used to uncover the correlations between the PCs and the binding strength.

doi: https://doi.org/10.1371/journal.pcbi.1013074.g012