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v0.2.1 Release Description

v0.2.1 is a stabilization release for the public CompTox MCP surface.

The public boundary does not change: the default server remains an evidence-federation and screening-prioritization MCP. Predictive and orchestrator modules are still in-repo experimental assets, not part of the default public tool catalog.

Highlights

  • Deterministic identity resolution is stricter. resolve_chemical_identifier now locally verifies exact identifier matches instead of trusting permissive upstream name-search behavior. Partial-name inputs that do not resolve exactly now return ambiguous when fallback search finds multiple candidates, and invalid search strings normalize to not_found instead of leaking raw upstream 4xx envelopes.

  • Readiness is now authenticated and defensible. /readyz no longer reports success based on a generic /ctx-api/health reachability probe. It now requires an authenticated CTX probe against stable upstream endpoints, while /healthz remains a pure liveness check.

  • The public contract is broader and better documented. The release includes the public prioritization and manifest resources, additive provenance fields on interop payloads, honest AD-enforcement metadata, and aligned response schemas across the public surface.

  • Release validation is codified. CTX-backed live fixture capture for interop outputs is now in place, and scripts/release_smoke.py provides a reusable release-oriented validation pass across readiness, HTTP MCP, WebSocket MCP, manifest discovery, identifier resolution, screening prioritization, and interop builders.

  • Experimental scientific-engine infrastructure is stronger. In-repo predictive/orchestrator assets gained structured evidence assessment, AD sidecar support, descriptor/expert-rule execution hooks, mechanistic-context derivation, and analogue provenance. These remain experimental and are not advertised as part of the default public server.

Public Surface In This Release

  • chemical
  • bioactivity
  • exposure
  • hazard
  • chemical_list
  • cheminformatics
  • metadata
  • interop
  • prioritization
  • manifest

Verification Summary

Release-readiness verification for v0.2.1 included:

  • pytest -q with 165 passed
  • direct CTX dependency checks against chemical, hazard, exposure, and bioactivity endpoints using the app-resolved credential path
  • live HTTP and WebSocket MCP validation against a running server
  • live resolve_chemical_identifier probes covering:
    • exact CAS resolution
    • partial-name ambiguity
    • invalid-name not_found
  • live prioritize_risk_signals
  • live assemble_comptox_evidence_pack
  • live build_aop_linkage_summary
  • live build_pbpk_context_bundle
  • live scripts/mcp_interop_smoke.py
  • live scripts/release_smoke.py

Known Caveats

  • Partial-name inputs are intentionally no longer treated as deterministic identity. For stable workflows, prefer DTXSID or CASRN.
  • Some optional upstream slices, such as MMDB aggregates for specific chemicals, may still return 404 and are treated as known data gaps rather than hard failures.
  • Predictive and orchestrator modules remain experimental despite the internal hardening work in this release.

Suggested Release Blurb

v0.2.1 hardens the CompTox MCP public surface without changing its role. The release tightens deterministic identity resolution, makes /readyz prove authenticated CTX capability, stabilizes manifest/prioritization/interop contracts, and adds a codified release smoke path. It also ships significant internal scientific-engine hardening while keeping predictive and orchestrator features out of the default public catalog.