Derek Nexus

Derek Nexus is an expert knowledge-based system developed by Lhasa Limited for the prediction of the toxicological and metabolic properties of chemical compounds. It is widely used across the pharmaceutical, chemical, and agrochemical industries to support safety assessment and regulatory decision-making during drug discovery and development.

Derek Nexus applies structure-activity relationship (SAR) reasoning to evaluate whether a query compound contains structural alerts associated with toxic endpoints, helping scientists identify potential hazards early in the development process and reduce reliance on animal testing.

Key Capabilities

• Prediction of a broad range of toxicological endpoints including mutagenicity, carcinogenicity, skin sensitisation, and reproductive toxicity
• Structure-activity relationship (SAR) analysis based on an extensive, curated knowledge base of toxic structural alerts
• Support for regulatory submissions and safety assessments in line with ICH guidelines and other international standards
• Identification of structural features that may contribute to adverse biological effects

Intended Users

• Medicinal chemists and toxicologists in pharmaceutical and biotechnology companies
• Regulatory affairs and safety assessment professionals
• Scientists in agrochemical, cosmetic, and specialty chemical industries

Derek Nexus is developed and maintained by Lhasa Limited, a not-for-profit organisation based in Leeds, UK, with expertise in computational toxicology and chemistry. The platform is regularly updated with new knowledge and is available as part of Lhasa Limited's suite of in silico prediction tools.