Changelog

Interactive ROI calculator on the homepage — input your quarterly compound volume and per-resolution cost, see how much ChiralCall saves by prioritizing the correct enantiomer first.

Copy a formatted decision summary from any prediction — paste it into Slack, email, or your lab notebook. Batch comparison reports now include a one-click "Copy Decision Memo" for internal distribution.

CRO teams can now compare ChiralCall predictions against their own ground truth, entirely client-side. Your answers never leave your browser.

DHP-C4-symmetric compound class split — dihydropyridines with C4 symmetry now return a separate, properly validated prediction instead of being silently merged with asymmetric DHPs.

Corrected the predicted active enantiomer direction for the diaryl-cyclic-amine-AH compound class after identifying an inversion error during expanded validation.

Every compound class now validated with LOO cross-validation on ChEMBL 36 data. Overall served accuracy: 98% across 691 ChEMBL compounds.

Switched from brittle text-substring matching to RDKit SMARTS substructure matching. Your SMILES string can use any valid notation — Kekulé, aromatic, any atom ordering — and ChiralCall resolves it correctly.

Specificity scoring automatically detects when a compound matches multiple compound classes. Instead of silently picking one, ChiralCall flags the ambiguity and selects the most structurally specific match.

API responses now include per-class validation statistics — accuracy, Wilson 95% confidence intervals, LOO results, and compound class size — so predictions can be cited in regulatory filings without manual lookup.

Every prediction now includes a Calibrated Confidence Score (0–100) computed via logistic regression over structural features. CCS tiers (very high, high, medium, low) give you a per-compound reliability estimate.

Free 60-day pilot for CRO teams: submit up to 150 compounds, get predictions with full validation data, compare against your own ground truth. No credit card, no commitment.

Interactive 3D visualization of predicted stereochemistry on every shareable prediction page. Real molecular structures from PubChem with drag-to-rotate and pinch-to-zoom.

Full transparency: browse every wrong prediction ChiralCall has ever made, filterable by compound class, with per-class accuracy bars and error breakdowns.

User dashboard for managing predictions and API keys. RESTful API v1 with batch processing, authentication, rate limiting, and programmatic access to all prediction data.

Dedicated compound class for atropisomeric kinase inhibitors — a scaffold type that most chirality tools ignore entirely.

13 agrochemical compound classes including pyrethroids, triazole fungicides, and organophosphates. ChiralCall now covers both pharmaceutical and agricultural chirality.