Skip to main content
. 2022 Feb 16;13(13):3697–3705. doi: 10.1039/d1sc05259d

Fig. 7. The effect of STONED alphabet choice counterfactuals from RNN solubility model. Although each counterfactual has the same similarity, the molecules are increasingly unusual. The basic alphabet provides a balance of intuitive counterfactuals and enough tokens to explore chemical space.

Fig. 7