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…
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.
High quality predictive QSAR models of a broad range of key ADME and physicochemical properties
Quickly identify metabolic pathways, potential metabolites and guide compound design to avoid metabolic liabilities
Knowledge-based prediction of over 40 key toxicity endpoints, helping guide the design of safe, efficacious drugs
Build and validate robust QSAR models tailored to your chemistry and data, in an easy and intuitive way
Generate and prioritise new, relevant compound ideas using virtual library enumeration and generative chemistry
Access a world of chemistry experience, extending Nova’s capabilities with over 29,000 structure modifications and replacement techniques
Combine your expert chemistry knowledge and the exploratory power of generative methods to identify optimal compounds faster
3D ligand-based design – understand binding conformations to identify and optimise novel active compounds
3D structure-based design – visualise ligand and protein structures and identify key interactions driving binding affinity
Develop multi-parameter optimisation strategies using patented rule induction and sensitivity analysis methods
High quality predictive QSAR models of a broad range of key ADME and physicochemical properties
Quickly identify metabolic pathways, potential metabolites and guide compound design to avoid metabolic liabilities
Knowledge-based prediction of over 40 key toxicity endpoints, helping guide the design of safe, efficacious drugs
Build and validate robust QSAR models tailored to your chemistry and data, in an easy and intuitive way
Generate and prioritise new, relevant compound ideas using virtual library enumeration and generative chemistry
Access a world of chemistry experience, extending Nova’s capabilities with over 29,000 structure modifications and replacement techniques
Combine your expert chemistry knowledge and the exploratory power of generative methods to identify optimal compounds faster
3D ligand-based design – understand binding conformations to identify and optimise novel active compounds
3D structure-based design – visualise ligand and protein structures and identify key interactions driving binding affinity
Develop multi-parameter optimisation strategies using patented rule induction and sensitivity analysis methods
Accelerate your drug discovery projects with collaborative design, centralised sharing and informed decision-making.
Comprehensive data analysis, visualisation and design, easily integrated into your informatics infrastructure.
Integrated access to 3D modelling to analyse SAR, identify potential liabilities and guide compound design.
Seamlessly connect to your in-house databases, with a user-friendly interface to access the latest and most relevant data.
Enjoy identical functionality and user experience, with options for desktop or cloud-based StarDrop, and several hosted server options.
“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
The answer is, it depends. Our CCO, James, explains which factors influence the cost of drug discovery platforms.
Summary In this drug optimisation article, co-authored with Pfizer we discuss new ‘rule induction’ methods. These explore complex data to…
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.
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
Simply complete the form now for a free personalised demo and see how StarDrop fits your unique research needs.
If you’d like to find out more about the StarDrop evaluation process read our step-by-step guide.
Our CCO, James Halle, talks about key considerations when budgeting for drug discovery software.