2D QSAR Hydration Free Energy Calculations. We now examine the performance of molecular descriptor-trained support vector machine (SVM) models on HFE predictions. We generated 10,000 random train/test splits in a 70:30 ratio which means that each split has 193 ligands in the test set and we have 1,930,000 predictions in total. We generated multiple models from different train/test splits to gauge the performance of such models much more reliably than if we were to use a single model. Overlaying the SVM and GAFF2.11 + TIP3P