Powerful new computational suite to understand SAR and design
forgeV10 gives you control and insight into your activity data enabling you to plan the direction of your project with confidence. This new technology uses the shape and electrostatic character of your molecules to create qualitative and quantitative 3D models of activity that are visually stimulating and easy to communicate to your team.
forgeV10 takes advantage of Cresset’s patented ligand comparison method to align, score and compare molecules from a biological viewpoint. Our technology has been tried and tested in hundreds of projects from virtual screening to compound design. forgeV10 brings this science to your fingertips to empower your research. Use forgeV10 to:
- Decipher complex SAR and communicate the results.
- Design better molecules based on predictions you can trust.
- Prepare detailed pharmacophores.
- Virtually screen 10 000 compounds on your desktop.
- Generate ADME and off-target activity profiles.
Platforms: Windows, Linux, Mac, CLI, Pipeline Pilot, KNIME. Learn more.
Correlate field and activity data
A CCK-2 template derived from three structurally diverse ligands. The graph shows the tight correlation between field similarity value and CCK-2 activity for seven other diverse molecules with a range of activities.
Understand how compounds interact with protein targets
Working from just a few 2D structures of known active ligands, forgeV10 generates a series of conformations that the ligands might adopt under physiological conditions. It analyzes these to find sets with a high molecular field similarity and hence with similar shape and binding properties to find the bioactive conformation.
See how product features are distributed between torchV10 and forgeV10 following the integration of FieldAlign.
|Load protein-ligand crystal structures to visualize favorable interactions.|
|Load up to 10,000 molecules and convert them into 3D so 2D and 3D structures can be viewed side by side.|
|Load results of a ligand or protein based virtual screening experiment.|
|Study SAR of congeneric series by manually modifying structures and visualizing the change in the electrostatic and shape characteristics of the molecules.|
|Align and compare molecules using a common substructure or using electrostatic and shape characteristics.|
|Gain immediate feedback on new designs using the ‘score while you draw’ feature.|
|Automatically create energetically reasonable conformations for new designs and ensure these can bind to your target.|
|Score new molecules against detailed 3D QSAR models from Cresset’s forgeV10 software.|
|Optimize more than potency with the optional StarDrop module to predict off-target effects.|
|Virtual screen of 500 molecules.|
|GUI interface for virtual screening of 10,000 molecules.|
|Virtual screen of 100,000 molecules.|
|Create 3D model of binding (pharmacophore).|
|Create 3D QSAR models.|
|Use cluster resources.|