Compliance screening, in your pipeline.
One API call per molecule returns its regulatory status across eight frameworks, 1,585 structural alerts, predicted absorption and brain penetration, and prior-art disclosure, each field with its source. Informational screening for early discovery: it shows a chemist what to examine before money is spent on a molecule.
Get an API key. Send a SMILES and its context, the intended use and the jurisdiction, to POST /v1/tools/check_compliance. The response carries a verdict (PROCEED, STOP or CAUTION), the risk factors behind it, recommendations, and each layer's result with its provenance. Approved drugs on the FDA whitelist return PROCEED, with any structural alerts reported as context. Inside the open engine, the check_compliance tool calls the same API.
Four layers, each with its source.
Context routes each call: intended use (pharmaceutical, research, industrial, agricultural, cosmetic), jurisdiction (US, EU, UK, CA, AU, JP, CN, or global treaties), and an optional therapeutic area.
Validated, reproducible, and documented.
Validated before it was released
Risk-based GAMP classification, with acceptance criteria written before testing. The recorded run scored 341 of 342. The one miss was a wrong SMILES for cortisol in the approved-drug whitelist; the full 102-compound benchmark caught it, and change control fixed it.
Reproducible outside the service
20 of 20 compounds return identical results from the deployed service and from a separate local RDKit install. The benchmark data, validation reports, and the scripts behind them are public.
Seven governance documents
Intended use, risk and software classification, validation, audit, change control, user-interface guidance, and a technical overview. Summarized in the preprint; full versions on request.
An audit trail on every call
A three-layer audit trail, two layers of which cannot be skipped. Latency is about 0.45 s per call with a cached prior-art answer and about 3.1 s with a live PubChem lookup (May 2026 benchmark).
- Informational screening for early discovery. It is not a legal or regulatory determination and does not replace counsel or a DEA analog review.
- Structural alerts flag liberally by design. Aspirin trips four.
- BOILED-Egg is a two-property model: a first read on absorption, not a replacement for ADMET models or measured data.
- Prior art means exact-structure disclosure. It is not a patent freedom-to-operate opinion.
- The regulatory layer is as current as its reference lists, which change only through change control.
Peer-reviewable
FAVES V4 is documented in an open preprint on ChemRxiv. The supporting-information repo holds the benchmark data, the validation and latency reports, and the scripts that produced them.
Screen your shortlist with FAVES.
Access is granted per pipeline. Describe the pipeline and NovoMCP scopes the fit.