A random forest classifier for protein-protein docking models.

ABSTRACT: Herein, we present the results of a machine learning approach we developed to single out correct 3D docking models of protein-protein complexes obtained by popular docking software. To this aim, we generated 3 × 10 4 docking models for each of the 230 complexes in the protein-protein benchmark, version 5, using three different docking programs (HADDOCK, FTDock and ZDOCK), for a cumulative set of ≈ 7 × 10 6 docking models. Three different machine learning approaches (Random Forest, Supported Vector Machine and Perceptron) were used to train classifiers with 158 different scoring functions (features). The Random Forest algorithm outperformed the other two algorithms and was selected for further optimization. Using a features selection algorithm, and optimizing the random forest hyper

SUBMITTER: Barradas-Bautista D 

PROVIDER: S-EPMC9710594 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature