Knowledge-based prediction of over 40 toxicity endpoints
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 Using data from published and donated (unpublished) sources, Derek identifies structure-toxicity relationships that alert you to the potential for your compounds to cause toxicity.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.
With its comprehensive suite of integrated software, StarDrop™ delivers best-in-class in silico technologies within a highly visual and user-friendly interface. StarDrop™ enables a seamless flow from the latest data through predictive modelling to decision-making regarding the next round of synthesis and research, improving the speed, efficiency, and productivity of the discovery process.
The Derek Nexus is available as an optional module for StarDrop. To trial StarDrop and the Derek Nexus module, please complete the form and a member of the team will get in touch to understand your needs and get you set-up with a licence that works best for you.
WITH A RANGE OF
StarDrop's™ core features can be extended with a comprehensive range of optional plug-in modules; predictive models for ADME properties, Phase I and II metabolic routes and toxicity; automatic QSAR model building; 3D SAR analysis; and de novo design to stimulate the search for new optimisation strategies.