SuCOS is an RDKit-based overlap measure that combines volumetric shape and pharmacophoric features to give a combined overlap score similar to OpenEye's Tversky Combo and Malhotra and Karanicolas' COS measure. |
hg clone https://toolshed.g2.bx.psu.edu/repos/bgruening/sucos_docking_scoring
Name | Description | Version | Minimum Galaxy Version |
---|---|---|---|
- compare shape and feature overlap of docked ligand poses to a reference molecule | 0.1 | 16.01 |