Software and discovery services for a wide range of biological challenges
Computational chemistry often sits at the interface between biology and medicinal chemistry. Cresset Discovery Services can provide outsourced computational chemistry services to help you design new compounds based on your biological understanding.
We help structural biologists understand the biological structures and the pharmacology and activity of the systems they're working on.
Cresset curates a database of more than 20 million commercially available compounds to kick start your project or quickly identify a back-up series. Blaze can also be used to perform screens on your proprietary compounds.
Spark uses electrostatics and shape to find biologically equivalent replacement moieties for your compounds. This enables us to moving between chemical classes e.g., to gain freedom to operate from an IP perspective or to identify your back-up series.
Activity Atlas™ enables us to show all of your SAR project data in a single picture. This helps you guide the direction of your project, showing you which areas of chemistry have not yet been fully explored. We can also use Activity Atlas to helps you to see the features that active molecules have in common.
Regions already explored for electrostatics (left), shape (center), hydrophobics (right).
We help you reach your next milestone faster and more cost effectivelyContact us for a free confidential discussion