Advancing Aquatic Ecological Risk Assessment through AI Driven Prediction of Chemical Exposure and Toxicity in Freshwater and Marine Fish

Supplementary Data Set 2: The excel file contained datasets used in this study to construct the prediction models for multi-species Fcard and VO2, as well as the classification and quantification models for human and multi-species CLin vitro,int.

All datasets included chemical structures (if available), model inputs, predicted endpoints, training/test splits, and data sources. Supplementary Data Set 3 The excel file contained 703 internal exposure concentration data collected from extensive literature for validation of the HM-PBTK model.