Every molecule, already understood
Toxicity. Drug-likeness. Regulatory status. Drug interactions. Pre-computed across 122M compounds so your team never waits. In the cloud or on your desktop — ask a question, get an answer.
NovoMCP
The intelligence layer for any MCP-compatible AI assistant. Pre-computed ADMET, regulatory compliance, and research search across 122M compounds — accessible from Claude, ChatGPT, Cursor, and more.
- 27 molecular intelligence tools via MCP
- FAVES compliance across 8 jurisdictions
- Literature, patent, and clinical trial search
- Lead optimization with safety guardrails
- Enterprise data connectors
NovoWorkbench
Local molecular computation with no browser limitations. 3D visualization, AI-powered analysis, and optional cloud connectivity — your research stays on your machine.
- 3D molecular visualization and editing
- Local RDKit compute — no Python required
- Multi-provider AI chat (Claude, GPT-5, Ollama)
- SMILES, SDF, MOL, PDB file support
- Optional NovoMCP cloud integration
What changes for your team
The work that used to take days now takes seconds. Here's what that looks like in practice.
Compound assessment in seconds, not hours
Every molecule in our index already has its ADMET profile, drug-likeness scores, and regulatory status computed. Your team asks a question and gets an answer — no model queue, no compute allocation, no waiting.
ADMET Radar — Aspirin
CC(=O)Oc1ccccc1C(=O)O
85%
Abs
72%
Dis
91%
Met
78%
Exc
64%
Tox
Compliance inline, not at the gate
FAVES screens every prediction against eight regulatory jurisdictions — DEA, FDA, EPA, CWC, EU REACH — as it's returned, not after. Compliance runs as a compute layer inside the pipeline, not a manual checkpoint at the end.
FAVES Compliance — Aspirin
CC(=O)Oc1ccccc1C(=O)O
DEA
CLEARFDA
CLEARCWC
CLEAREPA
CLEAREU REACH
CLEAROverall Status
CLEARPAINS: 0
Structural Alerts: 0
Whitelisted FDA-approved drug
Research scattered across five sources, unified
Curated papers, patents, preprints, clinical trials, and ChEMBL bioactivity data — searched together. One query gives you the complete landscape instead of five separate searches.
Unified Research — Aspirin
5 sources · 1 queryAspirin and cardiovascular disease prevention: a systematic review
Lancet · 2024 · Cited 142
Novel aspirin formulations with improved bioavailability
USPTO · US2023/0142891 · Filed 2023
ADAPTABLE: Aspirin Dosing in Cardiovascular Disease
Phase IV · Completed · n=15,076
COX-2 selectivity and platelet aggregation: mechanistic insights
bioRxiv · 2024 · doi:10.1101/2024.03.15
Bioactivity: COX-1 IC₅₀ = 1.67 µM, COX-2 IC₅₀ = 278 µM
CHEMBL25 · 1,247 assays · 892 targets
Lead optimization with guardrails
Generate drug-like variants and know immediately whether they're viable. Every candidate is auto-screened through FAVES for regulatory compliance and structural alerts before it reaches your team.
Your warehouse, enriched
Pull compounds from Snowflake or Databricks, run ADMET and compliance processing, push enriched results back. Your existing data infrastructure gains molecular intelligence without new pipelines.
Ask naturally, get intelligence
Lead Optimization
"Optimize this lead for better oral bioavailability while maintaining selectivity." Generate variants, predict ADMET, screen for safety — all in one response.
Safety Assessment
"Is this molecule safe to develop? Check for regulatory concerns." Instant screening against DEA, FDA, EPA, CWC, and structural alerts.
Literature Review
"What's known about CDK4/6 inhibitors in breast cancer?" Search papers, patents, preprints, and clinical trials in one query.
Virtual Screening
"Find molecules similar to palbociclib with QED > 0.6 and no PAINS." Filter 122M compounds by similarity, properties, and compliance.
Structure Prediction
"Predict the structure of this kinase domain." State-of-the-art protein folding with confidence scores and 3D visualization.
Bidirectional Pipeline
"Pull imatinib from my Databricks table. Run ADMET and FAVES. Push enriched results back." Pull from your warehouse, enrich with AI, push back. One prompt.
How it works
Connect once
One URL, one API key. Works with any MCP-compatible AI assistant — Claude, ChatGPT, Cursor, Windsurf, GitHub Copilot, and more. Setup takes under a minute.
Ask naturally
Describe what you need in plain language. Your AI recognizes molecular queries and selects the right tools automatically — no syntax, no parameters, no dashboard.
Get answers with compliance
Every response includes automatic safety screening across eight regulatory jurisdictions. Lead optimization generates only compliant variants. Nothing slips through unchecked.
Start in under a minute
One URL. One API key. Complete molecular intelligence in your next conversation.