Fig. 6: Non-toxic molecules from the toxicity database that fit the trends observed from different featurization methods.

Top-left: 5-ethyl-5-(1-(ethylthio)ethyl)-2-thiobarbituric acid, top-right: sulfocarbathione, bottom-left: 2-thiobarbituric acid, bottom-right: 5-methyl-2-thiohydantoin.