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).
The NeuroDeRisk computational toolbox consists of tools for screening chemical structures and drug candidates against a panel of neurotoxicophore models for neurotoxic adverse effects predictions, data mining tools, and the NeuroDeRisk database that will contain all data generated and acquired during the project period.
Computational tools developed in the project have been integrated into KNIME node extensions to be used in the KNIME Analytics Platform, an open-source software for data science workflows. This approach enables rapid prototyping, ensures re-usability, and facilitates the combination of tools from multiple consortium partners.
The next section of this documentation describes how to install the toolbox.
- NeuroDeRisk Project Website:
- NeuroDeRisk IMI Project: