Supplementary Material 6.

List of those assessment criteria for individual areas of uncertainty, variability or bias within toxicity-prediction QSAR (as presented by Cronin et al. [18]) updated in light of consideration of concerns specific to application of ML. Each is grouped in accordance with its relevance either to the reproducibility, interpretability or generalisability of models. Updates to text under heading “Comment or Other Information” are displayed in bold. (XLSX)