In order to partially address this point, we performed Experiment 11, which utilized a different training and testing criteria as well as a different method to proposed molecules to be added to the training set. Our models failed to outperform random selection both when utilizing our criteria to propose molecules as well as when utilizing the ordering provided by maximizing Information Gain of a Gaussian Process. This implies that the problem could be present in all pKa datasets, or that the input representations we tried for our models are incorrect. Notably, the Information Gain ordering looked to be successful when 196