Solutions
Medicinal chemists
Make your designs stand out quickly with these intelligent solutions for molecule design and optimization
Efficiently and effectively design and prioritize new ligands for your target
Use Flare™ to efficiently and effectively design and prioritize new ligands for your target, with or without protein crystal structure information.
- Ligand alignment to understand SAR and build models and pharmacophores
- Creating effective 3D-QSAR models
- Finding and understanding activity and selectivity cliffs in your SAR using the Activity Miner™ component of Flare
- Understanding your SAR data at a glance using the Activity Atlas™ component of Flare
- Generating realistic pharmacophores using the FieldTemplater™ component of Flare to create actionable 3D models of binding when you don’t have protein structure information
- Enumerate your chemical libraries by choosing from a list of more than 50 popular synthetic chemistry reactions
- Identify the most active chemical structures with key desired properties through R-group decomposition and analysis
- Rapidly explore a single hit or lead compound and progress through the hit-to-lead progress, using Hit Expander
Generate highly innovative ideas for your project to explore chemical space and escape IP and toxicity traps
Our customers tell us that Spark™ is the best scaffold hopping and bioisostere replacement tool they have ever used.
- Kick start your chemistry by quickly generating a a range of novel molecules from an intial structure
- Find new R-groups from available chemistry using Spark's unrivalled output to ignite your chemistry creativity: whether your goal is R-group exploration, patent busting or IP finding, your results will include structures you have thought of yourself, plus new structures that make chemical sense and are totally unexpected
- Simplify complex experiments, such as fragment linking, ligand growing, macrocyclization and water replacement, and use the wizard driven set-up to making them accessible to your whole team
- Search your own chemical diversity for accessible bioisosteres from your compound collection or available reagents
Make better molecule design decisions and track compound synthesis from start to finish with ease
Cresset has partnered with Elixir Software to deliver Torx®: a visual, chemistry aware, web-based platform will inspire your discovery chemistry teams to work together and deliver faster.
Demand driven resources
Cresset Discovery's expert computational chemists can help you remove roadblocks and reach your next milestone faster.
Flexible consultancy packages mean that projects can range from a few days to ongoing collaborative work over the course of years. For your next project we can work alongside you from the ground up, giving you expert advice and guidance about how to accelerate your assets through the pipeline.
Medicinal chemistry
Cresset’s software provides us with intuitive molecule design, a powerful ability to understand SAR and design, plus a fresh way for generating novel and diverse structures for our projects.
Dr Kristian Birchall, Medical Research Council Technology, UK
We have had interesting and exciting results from Torch and Spark experiments which have led us to designing a novel entry inhibitor for HIV-1 with a new scaffold.
Dr Simon Cocklin, Assistant Professor of Biochemistry & Molecular Biology at Drexel University College of Medicine