Demo 06 of 11
Virtual screening funnel
Synthetic data for illustration
- What it shows
- A synthetic library of 500 compounds filtered by docking score, Lipinski rule of five, Veber criteria, and a hERG liability flag, with the funnel, a score versus weight plot, and the shortlist.
- How it maps to my work
- Reflects my CSIR internship, which screened 500 COVID-19 drug candidates with AutoDock and ADMET filters, and the Drug Discovery Hackathon 2020. See CSIR.
- Data source
- Synthetic data for illustration.