Modern ligand-based workbench providing an informative approach to molecule design and SAR analysisRequest an evaluation
Rapidly navigate complex SAR, highlighting key activity changes. Activity Miner gives you a clear rationale for changes in activity and provides inspiration for how to exploit this knowledge in future design iterations.
Summarize your SAR for a series into a visual 3D model that informs design decisions and helps prioritize molecules for synthesis. Activity Atlas is a highly efficient method for extracting key insights from your SAR.
Generate the most accurate field pharmacophores available. Understand how your active compounds interact with their protein target and which parts of those active molecules are involved in binding even when you don’t have structural information for your target.
Whether you use the graphical interface, the command line, or our components for KNIME® and Pipeline Pilot, Cresset Engine Broker will dramatically speed up your calculations by running calculations on a remote server or cluster.