DDU-TA_DMPK-Metabolic-Hotspots-and-Reactions
This workflow is a exercise in drug metabolism and pharmacokinetics (DMPK). You can input the structure of a compound of choice, and the workflow will show you the metabolic hotspots (chemical groups that are likely to be metabolized) and the metabolic reactions that can occur. This is not a predictive tool of sorts, being more like a showcase of what our enzymatic metabolic apparatus can do with a xenobiotic.
This workflow is a exercise in drug metabolism and pharmacokinetics (DMPK). You can input the structure of a compound of choice, and the workflow will show you the metabolic hotspots (chemical groups that are likely to be metabolized) and the metabolic reactions that can occur. This is not a predictive tool of sorts, being more like a showcase of what our enzymatic metabolic apparatus can do with a xenobiotic.
Nodes
Extensions
- FeatureKNIME Base nodes
- FeatureKNIME JavaScript Views
- FeatureKNIME JavaScript Views (Labs)
- FeatureKNIME Quick Forms
- FeatureRDKit Nodes Feature
Links
- No links available