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Environmental Sciences Europe
Fig. 4 | Environmental Sciences Europe

Fig. 4

From: Screening and prioritising persistent, mobile and toxic chemicals: development and application of a robust scoring system

Fig. 4

The analytical hierarchy* and weighting used to calculate a chemical’s T score. In red the scores for Melamine as an example calculation are given. *The T score includes (sub-)profilers from the QSAR Toolbox 4.4.1, Toxtree 3.1.0 and structural similarity values by Wassenaar et al. [22]. Table 1 provides background information to the (sub-)profilers and similarity models. These (sub-)profilers and similarity measures were used to indicate each of the endpoints (c, m, r, ED and general toxicity) which were aggregated to indicate a chemical’s hazard potential on a scale from 0 to 1. In red the T score calculation for melamine (1,3,5-triazine-2,4,6-triamine, CAS number: 108-78-1), as presented in “Application of screening approach” section, is shown as an example

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