Figure 6

Dependence of docking accuracy of ML scoring models on the number of features, with the features drawn randomly (without replacement) from a pool of X, A, R, and G-type features and used to train the ML models on the Pr dataset and then tested on the disjoint core set Cr. In panels (a) and (b), a single pose (native pose in (a) and randomly-selected pose in (b) is used per training complex, whereas in panel (c) 50 randomly-selected poses are used per training complex.