StarDrop Modules

Derek Nexus

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.

Derek Nexus StarDrop Module cover

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 Using data from published and donated (unpublished) sources, Derek identifies structure-toxicity relationships that alert you to the potential for your compounds to cause toxicity.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.

Screenshot of Derek Nexus glowing moledule

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.

Discover StarDrop™

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.


Plug-in Modules

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.


Quickly identify metabolic pathways, potential metabolites and guide compound design to avoid metabolic liabilities.

Derek Nexus

Knowledge-based prediction of over 40 toxicity endpoints


High quality predictive QSAR models of key ADME properties


Build and validate robust QSAR models tailored to your chemistry and data


Generate & prioritise new, relevant compound ideas


A world of chemistry experience


Inspyra™ combines your expert chemistry knowledge and the exploratory power of generative methods to help you identify optimal compounds faster.

Surflex eSim3D

3D ligand-based design – understand binding conformations to identify and optimise novel active compounds


3D Structure-based design

MPO Explorer

Develop multi-parameter optimisation strategies