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Repository qed
Name: qed
Owner: bgruening
Synopsis: Estimates the drug-likeness of molecules and reports a score
Estimates the drug-likeness of molecules and reports a score.

License: GPL3+
Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/bgruening/qed
Type: unrestricted
Revision: 3:52a8d34dd08f
This revision can be installed: True
Times cloned / installed: 295

Contents of this repository

Name Description Version Minimum Galaxy Version
quantitative estimation (QED) with RDKit 2021.03.4+galaxy0 16.01

Categories
Computational chemistry - Tools for use in computational chemistry