Derek Features and Benefits

Reducing Risk in R&D: Save time and money by identifying potentially toxic chemicals, thereby reducing risk in research and development. Derek can swiftly provide single or batch predictions for the toxicity of compounds. 

Extensive Coverage of Chemical Space: Derek alerts are built on public, proprietary and regulatory data (including data from the FDA). More than 35% of the mutagenicity alerts have been developed using proprietary data. 

Expert ICH M7 Support: Derek predictions are accepted by regulators under the ICH M7 Guidelines. The M7 functionality allows for simultaneous compound processing in Derek and Sarah Nexus against the mutagenicity in vitro endpoint.  

Rapid Toxicity Assessment: Derek can swiftly provide single or batch predictions for the toxicity of query compounds.

Negative Predictions Provided: Rather than an “out of domain”, Derek provides negative predictions for the bacterial mutagenicity and skin sensitisation endpoints when no associated alerts are fired. 

Skin Sensitisation Potency Predictions: A Nearest Neighbour Model is used to predict EC3 values for compounds that fire a skin sensitisation alert, allowing assessment of the skin sensitisation risk.

Transparent Predictions: Predictions are clearly represented and contain supporting evidence and patterns associated with the alerts for your compound. 

Auto-Classification: A user-editable classification is derived from the predictions provided by Derek and Sarah and any relevant experimental information included.