MolForge – Browser-based Chemical Data Platform

A single-file chemical
data platform

SAR, ADME, MPO, kinase selectivity, and AI/ML — all in one HTML file. Your compounds stay on your machine. No install, no account, no server.

The demo is pre-loaded with 25 public FDA-approved drugs across 6 project series (EGFR, BCR-ABL, VEGFR, JAK, BTK, CDK/ALK, COX-1) plus a 300-kinase sample selectivity panel — so every feature (SAR, MMPA, ADME, MPO, AutoQSAR, Kinase Selectivity) works immediately, no uploads required.

What's inside

Everything below works offline after the first load. All data stays on your device.

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SAR analysis

Scaffold and R-group decomposition with auto-MCS, SAR matrix, activity landscape with manual compound selection, MMPA, and 2D chemical-space projection.

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ADME prediction

25 endpoints covering solubility, permeability, CYP inhibition, protein binding, and CNS properties. Rule-based QSAR (ESOL, Lobell, Lombardo, Clark/Ertl, Wager).

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MPO scoring

QED, CNS MPO, Rule of 5, Rule of 3, and pMPO — with a summary table, per-compound breakdowns, and CSV/Excel export.

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AI / ML

AutoQSAR with Ridge, Random Forest, DNN, and MPNN/GNN. Bioisosteric replacements matched by SMARTS. SyntheMol-inspired analog generation.

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Kinase selectivity

Upload KINOMEscan / Eurofins / DiscoverX panels (Excel, CSV, TSV). Uploads persist across sessions. KinMap visualization and KLIFS-style interaction analysis.

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Structure editor

Built-in OpenChemLib editor — paste from ChemDraw, zoom, undo/redo, periodic-table picker for adding any element, and text annotations.

Try it now

This is the real app, embedded in an iframe. Click around, run SAR analysis on the pre-loaded compounds, or add your own.

ℹ️ Demo vs. downloaded copy — what happens to compounds you add?

Demo Compounds you add on this page are saved to your browser's local cache (IndexedDB) for the current browser & computer. Closing and reopening the tab keeps them, but clearing browser data or switching devices will not. Clicking 💾 Save prompts you to download a copy with your data embedded. Exports (CSV, Excel, JSON, SDF) work normally. Downloaded After downloading the HTML file and opening it locally, clicking 💾 Save writes your compounds directly back into the file. The file itself becomes your persistent database — email it, copy it, or version-control it to share with colleagues.

molforge_database.html

For the full experience (new-tab analysis tools, larger viewport), open the demo in its own tab →

How it works

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Your data lives in the file

Click Save to write your compound list back into the HTML. Email the file to a colleague — they open it and get the full database. No cloud, no sync, no accounts.

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IndexedDB session cache

Every change auto-saves in the browser so a refresh or crash doesn't lose work. Also stores uploaded kinase panels so you can resume where you left off.

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Privacy by design

The only network requests are to load CDN libraries on startup. Nothing is tracked, nothing is uploaded. Use Create Portable Version for a fully offline build.

A single-file chemicaldata platform