The aim of the H2020 IMI NeuroDeRisk project is the development of an in silico platform and toolbox for the screening of drug candidates against a panel of neurotoxicophores developed based on state of the art in vivo and in vitro neurotoxicity assessments. The focus is on three major types of neurotoxicity, specifically convulsant and seizure inducing effects (SZ-Tox), psychological and psychiatric side effects (P/P-Tox) and peripheral nervous system toxicity (PNS-Tox).