Finding the rules for successful drug optimisation
Summary In this drug optimisation article, co-authored with Pfizer we discuss new ‘rule induction’ methods. These explore complex data to…
A complete platform for molecular design, optimisation and data analysis
How does StarDrop support your hit-to-candidate process?
Easy SAR analysis
Clear data visualisation
Multi-parameter optimisation
Intuitive Card View®
Dynamic Glowing Molecule™
Seamless AI insights
Tailored to you
Access a huge range of customisation and integration options to build the workflow you need. Plug-in modules for in silico modelling, generative chemistry or 3D design; collaborative drug design extensions; in-house and external database integration. Whatever you need for your workflow, StarDrop can help.
We’re delivering trust
Thank you to some of our StarDrop users, listed below, who testify to the impact of the platform on their discovery programs
Discover StarDrop Modules
ADME QSAR
High quality predictive QSAR models of a broad range of key ADME and physicochemical properties
Metabolism
Quickly identify metabolic pathways, potential metabolites and guide compound design to avoid metabolic liabilities
Derek Nexus
Knowledge-based prediction of over 40 key toxicity endpoints, helping guide the design of safe, efficacious drugs
Auto-Modeller
Build and validate robust QSAR models tailored to your chemistry and data, in an easy and intuitive way
Nova
Generate and prioritise new, relevant compound ideas using virtual library enumeration and generative chemistry
BIOSTER
Access a world of chemistry experience, extending Nova’s capabilities with over 29,000 structure modifications and replacement techniques
Inspyra
Combine your expert chemistry knowledge and the exploratory power of generative methods to identify optimal compounds faster
eSim3D
3D ligand-based design – understand binding conformations to identify and optimise novel active compounds
SeeSAR
3D structure-based design – visualise ligand and protein structures and identify key interactions driving binding affinity
MPO Explorer
Develop multi-parameter optimisation strategies using patented rule induction and sensitivity analysis methods
In silico modelling
ADME QSAR
High quality predictive QSAR models of a broad range of key ADME and physicochemical properties
Metabolism
Quickly identify metabolic pathways, potential metabolites and guide compound design to avoid metabolic liabilities
Derek Nexus
Knowledge-based prediction of over 40 key toxicity endpoints, helping guide the design of safe, efficacious drugs
Auto-Modeller
Build and validate robust QSAR models tailored to your chemistry and data, in an easy and intuitive way
Generative chemistry
Nova
Generate and prioritise new, relevant compound ideas using virtual library enumeration and generative chemistry
BIOSTER
Access a world of chemistry experience, extending Nova’s capabilities with over 29,000 structure modifications and replacement techniques
Inspyra
Combine your expert chemistry knowledge and the exploratory power of generative methods to identify optimal compounds faster
Linking 2D and 3D SAR and design
eSim3D
3D ligand-based design – understand binding conformations to identify and optimise novel active compounds
SeeSAR
3D structure-based design – visualise ligand and protein structures and identify key interactions driving binding affinity
MPO Strategy
MPO Explorer
Develop multi-parameter optimisation strategies using patented rule induction and sensitivity analysis methods
Supporting customisation and collaboration
Idea Tracker
Accelerate your drug discovery projects with collaborative design, centralised sharing and informed decision-making.
Customisation and Integration
Comprehensive data analysis, visualisation and design, easily integrated into your informatics infrastructure.
3D docking and Alignment
Integrated access to 3D modelling to analyse SAR, identify potential liabilities and guide compound design.
Database Access
Seamlessly connect to your in-house databases, with a user-friendly interface to access the latest and most relevant data.
Flexible Deployment
Enjoy identical functionality and user experience, with options for desktop or cloud-based StarDrop,and several hosted server option.
“StarDrop is a very compelling package- multiple powerful tools combined into a single piece of software accessed via a very intuitive user interface. Viewing biological data and compound properties via card view offers a unique and visually appealing way to interrogate SAR trends. The ease with which powerful MPO scoring functions and QSAR models can be generated and applied to new ideas, as well as the ability to predict metabolic liabilities make StarDrop the go to software for ensuring project progression.”
Dr Robert Pace, Medicinal Chemist, Evotec UK
Interested in trying StarDrop?
Get in touch with the team to discuss your specific projects and needs, and book a software demo.
StarDrop resources
Perfecting the use of imperfect QSAR models
In this webinar, we examine the effective use of QSAR modelling in drug discovery and discuss a variety of pain points for medicinal chemists in knowing when a model can be trusted and how to avoid common pitfalls.
Matched Series for SAR Analysis
Try Matched Series Analysis in this follow-along tutorial
We routinely use Stardrop to visualise complex multi-parameter datasets, which helps inform the next stage of medicinal chemistry design. A welcome addition to the platform is the Metabolism module which enhances our ability to address metabolic liabilities, through predicting likely sites of metabolism by CYPs, AO and UGT enzymes. The user-friendly interface makes data analysis and property prediction easily accessible to medicinal chemists. A great drug discovery tool!
Andrew Stott, Director, Cerevance – Cambridge UK
Ready to transform to data-driven decision making and trial StarDrop?
Simply complete the form to get a demo to suit your specific needs.