Regentryis MolTrace's regulatory-intelligence module for ICH impurity assessment and CTD dossier drafting.
Spectroscopy evidence flows into ICH-classified action items, dossier-section drafts, and ALCOA+ ledger entries — automatically. The regulatory work is the output of the science, not a separate document written in parallel.
Why this exists
Even with a well-organised internal data lake, the bridge from a final spectrum interpretation to a regulatory-ready argument is, in most laboratories, invisible by default. Reviewers spend weeks reconciling a structure-elucidation narrative against the raw evidence.
The FDA's January 2025 AI framework + EMA's reflection paper + ICH Q2(R2) all raised the bar — simultaneously asking R&D groups to adopt more AI, prove reproducibility, document every parameter, and keep the human chain visible to inspectors. The spreadsheet-and-email toolchain doesn't satisfy any of those four.
Regentry closes that gap programmatically. The dossier is a by-product of the science — not a parallel document that gets reconciled in week 11.
The regulatory pipeline
Every stage emits a typed Pydantic record. Every output keys back to the input. The same recipe-hash replay that works for spectroscopy works here — designed to re-derive any ledger entry from any prior date with bit-identical output.
Incoming evidence from SpectraCheck — peaks, categories, impurity matches, solvent hits — maps onto regulatory categories: residual solvent, elemental impurity, genotoxic alert, nitrosamine risk.
Emits
evidence_id · regulatory_category · ich_class
Each mapped finding lands in the right framework slot: ICH Q3C (residual solvent), Q3D (elemental impurity), M7 (mutagenic), Q3A/Q3B (drug substance / product impurities). Pharmacopoeia priors layered in (USP-NF, EP, JP).
Emits
framework_ref · pharmacopoeia · acceptance_window
Risk-based credibility framework runs end-to-end. FDA Stage 1-4 oversight gates evaluated automatically — items requiring human review surface in the queue with the exact gate that triggered them.
Emits
risk_tier · fda_stage · human_review_required
Every numerical claim hyperlinks back to its source: the spectrum file, the picked peak, the literature window, the reviewer who approved it. Every confidence number is designed to carry its citation trail.
Emits
claim · source_uri · citation_chain
Dossier-section drafts in CTD format: Module 3.2.S.3.2 (Impurities), 3.2.S.4 (Control of Drug Substance), 3.2.P.5 (Control of Drug Product), AI/ML model documentation per FDA Jan 2025 framework.
Emits
ctd_section · draft · open_items
No release without an explicit human signoff. Reviewer attribution recorded with timestamp, role, and the exact artefact version they approved. Liability stays where regulators expect it.
Emits
reviewer · role · signed_at · artefact_hash
ALCOA+ audit-event entry written: attributable, legible, contemporaneous, original, accurate, complete, consistent, enduring, available. Inspection-oriented by default.
Emits
audit_event · alcoa_fields · inspector_view_url
Frameworks covered
Each framework is mapped to concrete code paths — audit ledger, dossier composer, action-item routing — not abstract policy alignment.
Global pharmaceutical guidelines
AI / regulatory submissions (Jan 2025)
AI in medicinal-product lifecycle
Cross-framework foundation
What Regentry covers
Each row in this grid is a typed pipeline — not a workflow we'd build for you on request. Inputs come from SpectraCheck or your existing data lake; outputs land in the audit ledger and the dossier composer.
Auto-classifies detected solvent peaks against ICH Q3C Class 1/2/3 limits. Action items raised only when observed concentration crosses framework thresholds.
Inputs
Spectroscopy peaks · solvent_hit table · API
Outputs
Q3C verdict · acceptance status · dossier section draft
Maps detected elemental signals onto the Q3D 24-element catalog. PDE limits per Class 1/2A/2B/3. Risk assessment by route-of-administration.
Inputs
ICP-MS / element analysis · API · drug product
Outputs
Q3D risk matrix · PDE comparison · open items
Structural alert detection (ICH M7) + literature-prior matching. Flags candidate nitrosamines + suggests confirmatory MS/MS acquisition.
Inputs
Structure SMILES · synthesis route · API
Outputs
M7 verdict · recommended MS/MS · risk tier
Tracks the full analytical lifecycle: specificity, linearity, accuracy, precision, range, robustness. Every parameter recipe-hash-linked to the validation campaign.
Inputs
Method runs · acceptance criteria · campaigns
Outputs
Q2(R2) report · parameter coverage · gaps
FDA Jan 2025 model-card registry: training data lineage, performance bounds, validation corpus, intended use, known limitations.
Inputs
Model artefacts · validation runs · changelogs
Outputs
FDA Stage 1-4 documentation · audit-ready
Watches regulatory sources (ICH, FDA, EMA, pharmacopoeias) for version changes. Impacts auto-routed to affected dossiers, rules, and action items.
Inputs
Source feeds · pharmacopoeia versions · diffs
Outputs
Change-impact report · action items · ETA
Anatomy of a ledger entry
Below is the exact shape of an audit-event row when a reviewer signs a residual-solvent verdict. Every field is queryable by an inspector with no extra interpretation step.
audit_events · aev_018f3d9c · ICH Q3C residual-solvent verdict
| ALCOA+ field | Recorded value | What it means |
|---|---|---|
| Attributable | a.chen@acme-pharma.example · Senior Reviewer · 2026-05-28T14:32:18Z | Reviewer identity + role + signing timestamp |
| Legible | JSON · UTF-8 · stable Pydantic schema v3.4.0 | Machine + human-readable; schema versioned |
| Contemporaneous | Logged 14:32:18Z · 0.4s after detection event | Recorded at the moment of decision, not backfilled |
| Original | Raw FID SHA-256: 4f7a…b29e (immutable vault, never overwritten) | Source artefact preserved bit-identical |
| Accurate | Recipe hash: r9c2…1d3a (replay-verified bit-identical output) | Reproducible by recipe replay any time |
| Complete | All 12 evidence layers + 3 cross-modal checks documented | No partial-evidence claims permitted |
| Consistent | ICH Q3C Class 3 mapping confirmed against pharmacopoeia v2024.2 | Framework version pinned to decision |
| Enduring | Retention class: 25-year regulatory minimum | Retention policy attached to event |
| Available | Inspector view URL: /audit/event/aev_018f3d9c · API: GET /audit-events/{id} | Queryable on inspection |
The honest comparison
Most R&D groups today run regulatory workflows through spreadsheets + email + shared drives. Here's exactly what flips when the dossier becomes a product of the pipeline, not a parallel document.
| Dimension | Spreadsheet workflow | MolTrace workflow |
|---|---|---|
| Where evidence lives | today Spreadsheets, email attachments, shared drives, lab notebooks | with MolTrace Typed Pydantic records, hyperlinked to raw spectra by SHA-256 |
| How claims get cited | today Hand-written narratives, manual cross-reference, reviewer memory | with MolTrace Auto-generated citation chain per claim: spectrum → peak → reference window → reviewer |
| How signoff happens | today Email approval, PDF wet-signature, signed-and-scanned | with MolTrace In-app signoff queue · reviewer + role + timestamp + artefact hash recorded atomically |
| What an inspector sees | today Reconstructed audit trail from emails + version history + interviews | with MolTrace Single audit_events query · ALCOA+ fields per event · provenance URLs |
| Reproducibility (replay analysis 6 months later) | today Re-run from scratch · 'looks similar' is usually the verdict | with MolTrace Recipe-hash replay · designed to reproduce bit-identical output |
| Regulatory-change handling | today Manual scan of guidance documents · spot-check affected dossiers | with MolTrace Surveillance watches sources · diffs auto-routed to affected items with ETA |
Cross-module loop
The acetic-acid impurity from SpectraCheck's worked example — followed all the way through regulatory routing and back into Repho as a constraint on the next run. Audit ledger records every handoff.
Peak at 2.10 ppm classified as acetic acid impurity (confidence 0.93). Regentry receives the structured evidence object.
ICH Q3C: acetic acid is Class 3 (low toxic potential, no action below 5000 ppm). PDE limit retrieved from pharmacopoeia v2024.2.
Observed concentration below 5000 ppm threshold — informational only. Dossier section 3.2.S.3.2 updated; no human review queued.
Impurity limit auto-propagates as a Bayesian prior on the next reaction run. Audit ledger records the cross-module handoff.
Audit & data integrity
The controls below are implemented in code and designed to support audit, not just to look auditable. The audit_events table runs every claim through the same six pillars. Inspectors query directly; no reconstruction needed.
Immutable raw vault
Every FID is SHA-256 hashed. Vault path policy enforced. Designed not to be overwritten, and built to support inspection.
Recipe-hash provenance
Every processing run links a recipe hash to the unchanged raw archive. Designed to let you replay a prior run and reproduce the same output from the unchanged raw archive.
Human signoff queue
FDA Stage 4 oversight gate. No regulatory document released without explicit qualified-human attribution.
Designed to support 21 CFR Part 11
The audit_events table is designed to support the electronic-records and electronic-signatures requirements.
Cross-modal contradiction warnings
HRMS exact mass disagreeing with NMR-implied formula raises a first-class warning before signoff.
Tenant isolation by default
Controls designed to support SOC 2 Type II, data-residency controls designed to support GDPR, role-scoped audit-event ledger per tenant.
Pick a dossier section that's currently a multi-week reconciliation. We'll walk through how the Regentry would handle the same evidence, end-to-end.
FAQ
No. Regentry provides controls designed to support 21 CFR Part 11 — a tamper-evident hash-chained audit ledger and electronic signatures — but MolTrace does not claim the product is itself compliant. Full computerized-system validation, SOPs, and identity management remain the customer's responsibility.
Regentry runs deterministic engines for ICH Q3A/B thresholds, Q3C(R8) residual solvents, Q3D(R2) elemental PDEs, M7(R2) mutagenic classification, and the FDA CPCA nitrosamine approach; each result carries its guidance citation and a content-hashed rule-set version, and an unknown solvent returns no guessed limit.
ALCOA+ is the data-integrity set — Attributable, Legible, Contemporaneous, Original, Accurate, plus Complete, Consistent, Enduring, Available. Regentry writes each signed decision to an HMAC-SHA256 hash-chained audit ledger with a configurable retention floor (default seven years), so any edit or reordering breaks recomputation.
No. Every regulatory result carries a human-review-required flag and a disclaimer, and no dossier artifact is released without explicit qualified-reviewer sign-off recorded with identity, role, timestamp, and artefact hash. Outputs are decision support, not submission-ready filings.
Regentry drafts CTD Module 3 sections (for example 3.2.S.3.2 Impurities and 3.2.S.4 Control of Drug Substance) with every numerical claim hyperlinked back to its source spectrum, picked peak, literature window, and approving reviewer. The drafts scaffold a submission but are not a finished filing.
Regentry logs AI-assisted decisions to a tamper-evident, hash-chained record with human gating on high-risk items, designed to support EU GMP Draft Annex 22; regulated numbers come from the deterministic rule engine, not the model. The draft Annex is not in force — this is decision-support governance, not a compliance claim.