Convergence was achieved in just 15 seconds on a GeForce RTX 2080 Ti 11GB Rev. A. selected ligand descriptors is equally well as LRGS, but given the robustness of its parent RF, we RF more promising algorithm for our hybrid SQM-ML scoring function. Similar conclusions can be drawn from Figure . RF(SQM, PLEC, descr), SQM-ML, and GradBoost(SQM, PLEC, descr) are the only models, and thus RF and Gradient Boosting are the only ML algorithms, that perform better than a random classifier across all 5 crossvalidation sets. However, Gradient Boosting has weaker classification power than RF.