D2.7 QSAR and read – across approaches for estimating off-target effects of APIs on aquatic and terrestrial organisms
Main author:
Erika Colombo
Work Package:
WP2.2.2 – Chemical read-across approaches for effects prediction
This document provides information on the development of the read-across approach (within the VERA software) and QSAR models used to assess the aquatic and terrestrial toxicity of active pharmaceutical ingredients (APIs). Specifically, the VERA tool has been developed to automatically evaluate the acute and chronic toxicity of APIs in fish. The final output includes an Excel file containing the predictions and their reliability, as well as a PDF file that compiles all the information VERA used in its assessment – such as structural alerts, molecular groups, and chemical entities. This supporting information can be individually analyzed by the user to aid in decision-making process.



