QSAR and read-across approaches for estimating off-target effects of APIs on aquatic and terrestrial organisms (D2.2.2)

A range of read-across tools within VEGAHUB will be trained using existing data for APIs and analogue chemicals (e.g. pesticides) and integrated using a weight-of-evidence (WoE) strategy to predict ecotoxicological effects based on chemical structure and/or activity (within a specified domain of applicability). Initial predictions (M12) will help inform API prioritisation in WP1.2, subsequent predictions will be used in the iterative assessment in WP1.2.