Uploading Experiments

Dose-response experiment data is uploaded from CRO-provided XLSX files. The system parses the data, matches compounds, fits curves, and classifies results automatically.

How to Upload

  1. Navigate to Upload Experiment in the menu bar.
  2. Select an XLSX file from the CRO.
  3. Review the preview showing parsed data (IC50 values, measurements, cell lines).
  4. Click Confirm to process the upload.

Required Excel Sheets

The XLSX file must contain these sheets:

Sheet Name Contents
Basic information Metadata including experiment date and cell line information
IC50 Summary CRO-provided IC50 values for Reporter Assay and CTG assays
Platemap and dilution plan Compound layout and concentration information per plate
Raw data Luminescence measurements from all plates

What Happens During Upload

  1. Parsing — The system extracts IC50 values, raw measurements, cell lines, and experiment metadata from the XLSX file.
  2. Compound Matching — Compound IDs from the CRO data are matched to registered compounds, handling ID format variations automatically.
  3. CRO IC50 Classification — CRO-provided IC50 values are classified:
    • IC50 with > prefix (e.g., ">30000") → INACTIVE (right-censored)
    • IC50 without > prefix → ACTIVE
  4. Curve Fitting — Dose-response curves are fit using 4PL and 3PL models with automatic model selection via AICc.
  5. QC and Classification — Each fitted curve receives QC metrics and a classification (ACTIVE, PARTIAL, INACTIVE, or UNCERTAIN).

Compound ID Matching

The system automatically handles common ID format variations between the compound library and CRO data:

  • Zero-padding differences: IT-D-820, IT-D-0820, and IT-D-00820 all match the same compound
  • Separator differences: BC-2059 and BC2059 are treated as the same compound
  • Typo fixes: ITN-D-xxxx is automatically corrected to IT-D-xxxx

Upload Status Messages

SUCCESS

All data was processed and saved successfully. You'll see a green success message with counts of IC50 values, measurements, and fitted curves.

PARTIAL

Some data was saved but some was skipped. This can happen when:

Issue Cause Solution
Compounds skipped Compound IDs in the XLSX don't match any registered compounds Register the missing compounds first, then re-upload
Measurements skipped Missing compound match, concentration, or luminescence data Check data quality in the Excel file
Curve fit errors Insufficient data points (<4) or unusual dose-response profiles Review raw data quality for affected compounds
Note: Data that uploaded successfully is still saved and usable even when the status is PARTIAL. You can view what was uploaded in the Summary dashboard or by searching for specific compounds.

Duplicate Detection

Each uploaded file is identified by a file hash. If you try to upload the same file again, the system will detect the duplicate and prevent re-uploading.