Torch SAR Software by Cresset

Torch is a powerful design and 3D structure activity relationship (SAR) software workbench. Medicinal chemists use Torch to design the next compound for synthesis or to understand their SAR.

Torch gives you the ability to relate to molecules by biological activity, leading to a deeper understanding of activity and better molecule designs. Also compare molecules from the same or different series then use the comparison to fire imaginative designs or leap into a new structural series.


Torch SAR Software Features:

• 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
• Cross compare multiple structures to find a consensus alignment
• Develop detailed models of binding starting in absence of 3D information or protein crystal structures
• Find a pharmacophore that can be used as a template for aligning other active molecule
• Use Activity Miner to find and examine activity cliffs in 3D and 2D fingerprints
• View heirachical clustering of your molecules using 2D or 3D similarity
• Align and compare molecules using a common substructure or using electrostatic and shape characteristics
• Create 3D QSAR models
• Many more...