Public API and MCP

Programmatic access to retrosynthesis, references, convergence, and SMILES validation. Build on the platform from your own apps, ELN integrations, or scripted workflows.

Authentication

Every request is authenticated with a per-customer API key. Admins provision keys at /manage/api-keys; the key is shown once at generation and stored only as a one-way hash on our side. Treat each key like a password; rotate or revoke at any time from the same page.

Keys are scoped to the issuing user, rate-limited per key, and attribute API usage back to that user for billing.

Authorization: Bearer <your-api-key>

Endpoints

The v1 API is documented as an OpenAPI spec served at /api/v1/docs/ui (interactive Swagger UI). The high-leverage endpoints:

• POST /api/v1/jobs: submit a retrosynthesis job (target SMILES, route length, deep search, precedent, etc.).
• GET /api/v1/jobs/{id}: poll for job status and pull the finished result.
• GET /api/v1/jobs/{id}/references: patent references for every step of a finished route.
• POST /api/v1/validate-smiles: canonicalize and validate a SMILES string before submission.
• GET /api/v1/usage: billing + usage metrics for the current customer.
• POST /api/v1/webhooks: register a callback URL to receive task.completed and task.failed events when a job finishes.

MCP server

For agentic integrations, we expose a hosted Model Context Protocol server at /api/v1/mcp with five tools:

• submit_retrosynthesis
• get_job_status
• get_route_references
• validate_smiles
• list_recent_jobs

Drop the MCP endpoint into any MCP-compatible client (Claude Desktop, Continue.dev, custom agents) along with your API key, and the agent can drive retrosynthesis programmatically.

Webhooks

When you'd rather get pushed than poll, register a webhook URL via POST /api/v1/webhooks. We POST task.completed and task.failed events to your URL with the result payload. Each delivery is retried up to three times; failures are surfaced in the Webhooks panel.