Knowledge based toxicity prediction
|StarDrop's Derek Nexus module, provides Lhasa's world-leading technology for knowledge based prediction of key toxicities, helping to guide the design of safe and efficacious drugs in hit-to-lead and lead optimisation.|
Toxicity of drug candidates is a major cause of expensive, late-stage failure in pre-clinical and clinical development. The Derek Nexus module for StarDrop provides Lhasa's world-leading technology for knowledge-based prediction of key toxicities. Using data from published and donated (unpublished) sources, Derek identifies structure-toxicity relationships that alert you to the potential for your compounds to cause toxicity. The Derek Nexus module provides predictions of the likelihood of a compound causing toxicity in over 40 endpoints, including mutagenicity, hepatotoxicity and cardiotoxicity.
Redesign to overcome liabilities
Seamlessly integrated with StarDrop's Glowing Molecule visualisation, regions of compounds that trigger alerts are highlighted, helping to guide the redesign of your compounds to overcome liabilities. Derek Nexus models are dynamically linked to StarDrop's interactive designer, generating instant feedback as you explore strategies to reduce the risk of toxicity.
Collaborate to guide decisions
Easy-to-use reporting makes it simple for chemists and expert toxicologists to collaborate in order to interpret and understand the relevance of a potential liability. Toxicity predictions can be given an appropriate weight in StarDrop's Probabilistic Scoring to intuitively balance the reduction of toxicity risk with the other requirements for a successful, safe and efficacious drug in hit-to-lead and lead optimisation. The result? Effective, early decision-making regarding the prioritisation of chemistries in the drug discovery process.
The Derek Nexus module is available as an optional module for StarDrop. To find out more about StarDrop and Derek Nexus, to arrange an online demonstration or to try StarDrop for yourself, please contact us.
Prioritise with Derek Nexus
Redesign with Derek Nexus
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