Figure 7
Distribution of binding affinities of molecules generated: using MoleGuLAR before optimization (red) and after optimization with pre-trained GPR (purple) and with GPR and active learning (blue).
Figure 7 | Scientific Reports
Distribution of binding affinities of molecules generated: using MoleGuLAR before optimization (red) and after optimization with pre-trained GPR (purple) and with GPR and active learning (blue).
