Drug-likeness: quantitative estimation (QED) with RDKit
toolshed.g2.bx.psu.edu/repos/bgruening/qed/ctb_silicos_qed/2021.03.4+galaxy0
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Within GTN tutorials
2021.03.4+galaxy0
Relevant Tutorials
- Computational chemistry / Data management in Medicinal Chemistry
- FAIR Data, Workflows, and Research / Data management in Medicinal Chemistry
- Genome Annotation / Secondary metabolite discovery