Fig. 3: Chemical space maps of 126,060 standardized marketed chemicals. | Nature Communications

Fig. 3: Chemical space maps of 126,060 standardized marketed chemicals.

From: Uncertainty-aware machine learning to predict non-cancer human toxicity for the global chemicals market

Fig. 3

Maps are colored by a reproductive/developmental and b general non-cancer toxicity given by the predicted log10-scale POD (green to orange color scale) and c, d the associated prediction uncertainty given by the log10-scale width of the 95% CI (blue to red color scale) with e illustrative annotations of high toxicity and high uncertainty hotspots. Pie charts illustrate the percentage of marketed chemicals falling into the respective toxicity and uncertainty levels. CI confidence interval, PBB polybrominated biphenyl, PBDE polybrominated diphenylether, PCB polychlorinated biphenyl, PCDE polychlorinated diphenylether, POD point of departure. Source data are provided as a Source Data file.

Back to article page