Derek Nexus is an expert, knowledge-based toxicology decision-support system used to predict the potential safety risks of small molecules. It encodes curated structure–activity relationships and structural alerts from the scientific literature and expert review to deliver transparent, explainable predictions across key human health endpoints, including mutagenicity (Ames), skin sensitization, carcinogenicity, and reproductive/developmental toxicity, as well as phototoxicity. For each outcome, Derek Nexus provides the reasoning behind the call, relevant supporting examples, and indicators of applicability and confidence, helping users understand why a compound is flagged or considered low concern. It is widely used in pharmaceutical, agrochemical, and consumer product R&D to prioritize compounds, assess impurities and metabolites, and support regulatory submissions, including ICH M7 risk assessments. The software also supports efficient workflows with batch evaluations and audit-ready reports, enabling consistent, defensible safety decisions early in development.
Derek Nexus is developed by Lhasa Limited. The most popular versions of this product among our users are: 1.0, 2.0 and 2.2. The name of the program executable file is Derek Nexus.exe.
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