Viewing Compounds
The Compound view allows you to search for individual compounds and see all associated data including structures, IC50 values, dose-response curves, and QC metrics.
Searching for Compounds
Navigate to Compound in the menu bar. You can search by:
- Compound ID (e.g., IT-D-0820)
- CRO Compound ID
- Compound name
Compound Detail Page
The compound detail page shows:
Chemical Structure
A 2D structure image rendered from the compound's SMILES representation.
IC50 Comparison Table
A table comparing CRO-provided and calculated IC50 values, grouped by experiment, cell line, and assay. Each row shows:
- IC50 value (in nM)
- Classification tag: ACTIVE PARTIAL INACTIVE UNCERTAIN
- Percent inhibition
- QC metrics (for calculated values): efficacy, SNR, model selected
Dose-Response Curves
Interactive charts showing the raw measurement data points and fitted curves for each experiment, cell line, and assay combination. Curves are plotted with:
- Concentration (log scale) on the x-axis
- Response (luminescence) on the y-axis
- Raw data points as scatter markers
- Fitted 4PL or 3PL curves as smooth lines
Exporting Data
Two CSV export options are available from the compound detail page:
| Export | Contents |
|---|---|
| Download IC50 CSV | IC50 values with classification, QC metrics, and curve parameters for the compound |
| Download Dose Response CSV | Raw dose-response measurements (concentration, response, assay, cell line) for the compound |