hERG QSAR screen
Synthetic data for illustration
- What it shows
- About 50 example molecules with 2D descriptors and a classifier score. A threshold slider trades sensitivity against specificity and counts missed blockers.
- How it maps to my work
- Reflects my B.Tech thesis, a 2D QSAR classifier for hERG inhibition that prioritized sensitivity and AUC over accuracy. See B.Tech thesis. See CSIR.
- Data source
- Synthetic data for illustration.