Table 2 Sub-score calculation of human health endpoints based on the (sub-)profilers and similarity values shown in Fig. 4
Endpoint | Function for sub-score calculation |
|---|---|
Carcinogenicity | \(C-\mathrm{score }={\sum }_{\mathrm{carcinogenicity ISS},\mathrm{ c}-\mathrm{similarity}}0.5\mathrm{ score}\) |
Mutagenicity | \(M-\mathrm{score}={\sum }_{\mathrm{QSAR profilers mutagenicity}, m-\mathrm{similarity}}0.5\mathrm{ score}\) |
Reprotoxicity | \(R-\mathrm{score}={\sum }_{\mathrm{DART}, r-\mathrm{similarity}}0.5\mathrm{ score}\) |
Endocrine disruption | \(\mathrm{ED}-\mathrm{score}={\mathrm{score}}_{\mathrm{ER binding}}\) |
General toxicity | \(\mathrm{Cramer}-\mathrm{score}={\mathrm{score}}_{\mathrm{Cramer classes}}\) \(\mathrm{OPester}-\mathrm{score}={\mathrm{score}}_{\mathrm{LICSS ToxTree}}\) |