Fig. 1: A flowchart highlighting important steps in the methodology. | Communications Biology

Fig. 1: A flowchart highlighting important steps in the methodology.

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

Fig. 1

(1) Collecting and processing experimental data used for training, (2) Producing and optimizing 3D structures of wild-type and mutant protein-ligand complexes used for calculating structure-based features, (3) calculating around 400 features and selecting distinct features with remarkable contribution to the quality of the model, and (4) building PremPLI machine learning model using random forest algorithm and trained on experimental data.

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