Drug-likeness: quantitative estimation (QED) with RDKit
toolshed.g2.bx.psu.edu/repos/bgruening/qed/ctb_silicos_qed/2021.03.4+galaxy02021.03.4+galaxy0
Metadata
Servers Offering this Tool
UseGalaxy.eu (2021.03.4+galaxy0)This is a guess, we are not currently checking if that is actually present.
Observed Tool Versions
Within GTN tutorials
- 2021.03.4+galaxy0
EDAM Operations
EDAM Topics
Relevant Tutorials
- Computational chemistry / Data management in Medicinal Chemistry
- FAIR Data, Workflows, and Research / Data management in Medicinal Chemistry
- Genome Annotation / Secondary metabolite discovery