Molecule Identity Audit

Molecule Identity Audit is a fail-closed molecular identity and metadata consistency audit framework.

It does not predict activity, ADMET, toxicity, clinical success, drug-likeness, or investment value.

Before asking what a molecule does, verify what molecule it is.

Public Demo

Live static demo:

https://funny-baklava-d89a88.netlify.app/

The demo is intentionally static and read-only:

• no upload
• no backend
• no API
• no analytics
• no cookies
• no data collection
• no arbitrary molecule input

What This Is

This is a public-facing methodology and demo repository for molecular identity and evidence-boundary validation.

It illustrates how a molecule record can be stopped before downstream claims when identity metadata fails consistency checks.

Example public demo chain:

SMILES != asserted InChIKey
-> STRUCTURE_IDENTITY_FAIL
-> pharmacology generation stopped
-> data room closed

What This Is Not

This is not an AI drug discovery platform.

This repository does not provide:

• pharmacology prediction
• ADMET prediction
• toxicity prediction
• docking
• target-fit scoring
• Ki / IC50 prediction
• clinical prediction
• molecule recommendation
• investment advice
• a production SaaS backend

Current Public Scope

This public repository is a showcase layer. It contains:

• static Netlify-ready demo page
• public methodology notes
• Basic Structure Audit template
• claim-boundary rules
• roadmap through P1.2
• small public fixture language

Non-public implementation details and service workflows are intentionally not included in this public showcase.

Validation Principles

The framework follows conservative audit behavior:

• A parseable structure is not automatically an identified molecule.
• A database no-match is not proof that a molecule is fake.
• A salt, fragment, or multicomponent structure must not be silently normalized away.
• Incomplete stereochemistry is not the same as parse failure.
• A downstream PASS must be earned, not inferred.
• When evidence boundaries are unclear, the workflow should stop rather than fabricate confidence.

Documentation

• Basic Structure Audit Template
• Claim Boundary
• Roadmap
• P1.2 Status Note

Repository Layout

.
├── README.md
├── assets/
│   └── screenshot.png
├── docs/
│   ├── BASIC_STRUCTURE_AUDIT_TEMPLATE.md
│   ├── CLAIM_BOUNDARY.md
│   ├── P1_2_STATUS_NOTE.md
│   └── ROADMAP.md
└── site/
    ├── index.html
    └── README.txt

Local Preview

Open site/index.html in a browser. No build step is required.

For Netlify Drop, deploy the site/ folder.

Public Boundary

The purpose of this public repository is to establish credibility, method discipline, and reviewable boundaries without publishing the full commercial validation system.

Public:

• README
• architecture and method overview
• static demo
• Basic Structure Audit example
• known non-goals
• limited roadmap

Not included here:

• private validation assets
• production service workflows
• resolver implementation details
• customer-specific delivery processes