For Contract Research Organizations
Evaluate ChiralCall on Your Own Compounds
Run a blinded retrospective on up to 150 of your historical chiral compounds via web interface or batch API. No commitment. Your SMILES are processed in memory only and never stored. See how ChiralCall performs on your chemical matter before making any decisions.
How the Pilot Works
Pick your test set
Choose 20–150 chiral compounds where you already know the eutomer. Internal compounds from recent programs work best. We recommend including at least a few compounds from each compound class you care about. NDA available before you submit proprietary structures.
Submit via batch API
Send your SMILES as a JSON array to /api/predict/batch. Each result includes the predicted eutomer direction, a calibrated confidence score (0–100), compound class match, and per-compound-class accuracy with Wilson confidence intervals. All processing is stateless — your SMILES are never stored.
Compare to your ground truth
Check ChiralCall's predictions against your known eutomer assignments. You'll see per-class coverage, accuracy, false-confident misses, and out-of-scope calls on your own chemical matter. That data tells you whether ChiralCall fits your workflow.
Sample Pilot Output
Here's what you'll see for each compound. This example shows three well-known drugs submitted via the batch API.
{
"results": [
{
"smiles": "CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)O",
"prediction": "(S)-enantiomer",
"direction": "S",
"confidence": 92,
"matchType": "scaffold",
"drugClass": "Arylpropionic acid (profen NSAID)",
"drug_class_stats": {
"n_validated": 44,
"accuracy_pct": 100.0,
"wilson_ci_lower": 92.0,
"wilson_ci_upper": 100.0,
"tier": "T1"
}
},
{
"smiles": "OC(=O)CC(CC(=O)O)(O)C(=O)O",
"prediction": "out_of_scope",
"matchType": "none",
"drugClass": null,
"note": "No matching compound class found"
},
{
"smiles": "CC(=O)Oc1ccccc1C(=O)O",
"prediction": "achiral",
"matchType": "none",
"drugClass": null,
"note": "No stereocenters detected"
}
],
"summary": { "total": 3, "predicted": 1, "out_of_scope": 1, "achiral": 1 }
}Predicted
Ibuprofen — correctly identified as an arylpropionic acid with (S)-eutomer. Confidence 92, backed by 44 validated compounds at 100% class accuracy.
Out of scope
Citric acid — no matching compound class. ChiralCall returns “out of scope” rather than a low-confidence guess.
Achiral
Aspirin — no stereocenters detected. Handled gracefully without wasting a prediction.
In a real pilot, you'd compare each “predicted” result against your known eutomer assignments. The drug_class_stats block gives you the statistical evidence behind each prediction.
Pilot Scoring Template
Use this template to run a blinded retrospective on 20–150 internal compounds and summarize coverage, accuracy, false-confident misses, and decision impact. All summary metrics auto-calculate from your results.
Download pilot scoring template (XLSX)Technical Validation Supplement
For a detailed breakdown of our validation methodology, per-compound-class accuracy, Wilson confidence intervals, and tier assignments, download the full technical supplement:
What the Free Evaluation Includes
Up to 150 predictions
Single or batch, via web UI or API
Batch API access
Submit hundreds of SMILES in one request
Per-compound confidence scores
Calibrated 0–100 probability of correctness
Per-class Wilson confidence intervals and LOO accuracy
Wilson CIs, LOO accuracy, sample sizes per compound class
Stateless processing
SMILES processed in memory only. Nothing stored, logged, or persisted.
Validation supplement
Download our full validation dataset — every compound, prediction, and outcome
Client IP Protection
We understand that CROs handle confidential client structures. ChiralCall is designed for this:
What ChiralCall does and does not do
ChiralCall predicts the historically favored eutomer direction within validated compound classes, for first-pass synthesis and assay prioritization. It does not replace experimental confirmation.
Compounds outside our 50 compound classes receive an “out of scope” response rather than a forced prediction. We believe this is more useful than low-confidence guesses.
Current coverage spans pharmaceuticals (NSAIDs, beta-blockers, ACE inhibitors, PPIs, kinase atropisomers, fluoroquinolones, and more) and agrochemicals (triazole fungicides, pyrethroid insecticides, ACCase herbicides). See the full list in the compound class browser.
A note on client-confidential compounds: For CROs whose client contracts prohibit submission to any external hosted service, ChiralCall may not be appropriate unless your legal or security team approves hosted stateless evaluation. In those cases, ChiralCall is best suited for internal historical datasets or projects approved for hosted evaluation.
After the Evaluation
If ChiralCall performs well on your compounds, the Founding Customer plan provides unlimited API access at $9,995/year — a rate locked for the lifetime of your account. For organizations processing hundreds of compounds per month via batch API, this is typically less than the cost of a single chiral resolution.
Enterprise options (custom SLA, dedicated support, higher rate limits) are available.
Academic institutions with .edu email addresses get 100 predictions/month free, permanently.
ChiralCall predicts the historically favored eutomer within validated compound classes. It is a decision-support tool for first-pass chiral prioritization — not a replacement for experimental confirmation. Predictions are provided for research use.