Alessandro Sangion

TL;DR: This editorial summarizes the history of parameter development for the external QSAR model validation and suggests, once again, the concurrent use of several different metrics to assess the real predictive capability ofQSAR models.

TL;DR: The Collaborative Modeling Project for Androgen Receptor Activity (CoMPARA) efforts are described, which follows the steps of the Collaborative Estrogen Recept Activity Prediction Project (CERAPP).

TL;DR: New externally validated QSAR models specific to predict acute toxicity of APIs in key organisms of the three main aquatic trophic levels, i.e. algae, Daphnia and two species of fish, were developed using theQSARINS software.

TL;DR: This study shows how in silico models can be applied in the hazard assessment to perform preliminary screening and prioritization of chemicals, and how the identification of the structural features, mainly associated with the potential PBT behaviour of the prioritized pharmaceuticals, is particularly relevant to perform the rational a priori design of new, environmentally safer, pharmaceuticals.

TL;DR: New externally validated QSAR models, specific to predict acute PCPs’ toxicity in three key organisms of aquatic trophic levels, i.e. algae, crustacean and fish, were developed according to the OECD principles for the validation ofQSARs, using the QSarINS software.