Repository revision
repository tip
Select a revision to inspect and download versions of Galaxy utilities from this repository.

Repository sucos_max_score
Owner: bgruening
Synopsis: Max SuCOS score tool from the SuCOS
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.
Type: unrestricted
Revision: 7:9b48456a96fe
This revision can be installed: True
Times cloned / installed: 230

Contents of this repository

Name Description Version Minimum Galaxy Version
- determine maximum SuCOS score of ligands against clustered fragment hits 2020.03.4+galaxy0 16.01

Categories
Computational chemistry - Tools for use in computational chemistry