SOFTWARE
Forge™
Modern ligand-based workbench providing an informative approach to molecule design and SAR analysis
Request an evaluationForge gives you control and insight into your activity data enabling you to plan the direction of your project with confidence.
Using Cresset’s patented ligand comparison method to align and score molecules using their electrostatic and shape properties, Forge builds qualitative and quantitative 3D models of activity, helping you to understand how compounds interact with protein targets.
- Decipher SAR and communicate the results
- Build detailed pharmacophores with the FieldTemplater component
- Highlight key activity changes with the Activity Miner component
- Understand your SAR data at a glance with the Activity Atlas™ component
- Create effective 3D-QSAR models
- Virtually screen thousands of compounds on your desktop
- Design new molecules with the ideal activity and property profile.
QSAR models
Decipher complex SAR and inform new molecule design. Quantitative and qualitative models can be generated using both 2D and 3D descriptions of similarity.
Activity Miner™
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.
Activity Atlas™
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.
FieldTemplater™
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.
Cresset Engine Broker
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.