ZZS similarity tool: The online tool for similarity screening to identify chemicals of potential concern.

ABSTRACT: Screening and prioritization of chemicals is essential to ensure that available evaluation capacity is invested in those substances that are of highest concern. We, therefore, recently developed structural similarity models that evaluate the structural similarity of substances with unknown properties to known Substances of Very High Concern (SVHC), which could be an indication of comparable effects. In the current study the performance of these models is improved by (1) separating known SVHCs in more specific subgroups, (2) (re-)optimizing similarity models for the various SVHC-subgroups, and (3) improving interpretability of the predicted outcomes by providing a confidence score. The improvements are directly incorporated in a freely accessible web-based tool, named the ZZS similarity too

SUBMITTER: Wassenaar PNH 

PROVIDER: S-EPMC9322536 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature