Web clip: Simple pictorial summaries of SAR with Activity Atlas Models

Forge, Cresset’s computational workbench for ligand-based design, uses ligand alignment to decipher complex SAR in electrostatics and shape space. As well as simple visual inspection Forge is able to use:

  • 3D-field-QSAR: To build a linear model for activity
  • Activity Miner: Find and analyze individual activity cliffs
  • Activity Atlas: Build a global view of activity cliffs, explored regions of SAR, and summarize activity space using electrostatics and shape.

This web clip gives an introduction to Activity Atlas Models in Forge.

If you have any questions about this functionality please contact us.

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