Figure : Graphical Abstract -Overview of datasets, featurization schemes, models, and results. The molecules shown represent the base structures that comprise quinones and hydroquinones. The lowest model errors for both quinones and hydroquinones are outlined in red. Annotations along the dashed lines represent key numbers: n is the number of molecules in a dataset, f is the number of features used in a model, r is the number of runs of the model, and α is the ridge regression hyperparameter. All models were re-trained 100 times (r=100) with randomly split training and test sets. The featurization approaches and models are labeled in the lower right corner of the relevant boxes in the schematic (ex. I.a: thermodynamic features in thermodynamic model).