Figure 5
From: Machine learning driven web-based app platform for the discovery of monoamine oxidase B inhibitors
Applicability domain analysis by PCA plot for the generated ML-QSAR models. (A) and (B) show 2D and 3D PCA of the PubChem fingerprint prediction model; (C) and (D) show 2D and 3D PCA of the substructure fingerprint prediction model; (E) and (F) show 2D and 3D analyses of the 1D and 2D molecular descriptor prediction model.
