NovoQuantNexus | Molecular Intelligence Infrastructure
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Molecular Intelligence Infrastructure

Every molecule, already understood

Toxicity. Drug-likeness. Regulatory status. CYP450 interactions. We pre-computed 84 properties across 122 million compounds so your team doesn't have to. Ask a question, get an answer -not a compute job.

Unified search across 250,000+ preprints, 500,000+ clinical trials, and 2.4M ChEMBL compounds. Structure prediction. Lead optimization. One interface, complete molecular intelligence.

122M+
Enriched compounds
84
Properties per molecule
<50ms
Lookup latency
8
Regulatory databases

The work is already done

Most molecular databases hand you raw structures and leave the hard part to you. Is this compound toxic? Controlled? Likely to fail in trials? Getting those answers means running models, querying regulators, searching literature -hours or days per compound.

We ran the models once, for all of them. Every molecule in our index carries 84 pre-computed properties -toxicity predictions, drug-likeness scores, CYP450 interactions, regulatory status across eight jurisdictions. The question you're about to ask already has an answer waiting.

From raw data to research-ready intelligence

Databases give you structures. NovoMCP gives you answers -pre-computed, compliance-checked, and ready for your next decision.

ADMET Predictions
Toxicity, absorption, metabolism, excretion -84 properties pre-computed for every compound. Hepatotoxicity, cardiotoxicity, CYP450 interactions. Instant retrieval, no waiting for models to run.
Regulatory Compliance
DEA, FDA, EPA, CWC, EU REACH -eight databases checked in a single call. Is this compound controlled? Banned? Restricted for certain uses? One question, complete answer.
Unified Research Search
Go beyond molecules. Semantic search across 14,000+ curated papers, 2,400+ patents, 250,000+ bioRxiv/medRxiv preprints, 500,000+ clinical trials, and 2.4M ChEMBL compounds. One interface, complete research landscape.
Molecular Optimization
Generate drug-like variants with NVIDIA MolMIM. Every output automatically screened for regulatory compliance -controlled substances never slip through.
Structure Prediction
3D protein structures from amino acid sequences via OpenFold3. Submit a sequence, receive a PDB file. Integrated into the same API.
Enterprise Data Export
Export molecular intelligence directly to your data warehouse. 9 connector adapters -Snowflake, BigQuery, Databricks, Salesforce, PostgreSQL, Google Sheets, Notion, Benchling, Supabase. OAuth sign-in for Google and BigQuery, with dynamic schema discovery, AI-assisted field mapping, and full governance with audit trails.
Native AI Integration
Works inside Claude Desktop, Web, Mobile, and Claude Code. No new dashboards to learn, no context switching. Ask questions in natural language, get molecular intelligence inline -26 tools, one conversation.

Ask naturally, get intelligence

No query language. No dashboard. Just describe what you need.

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.

Enterprise Data Export

"Export these ADMET results to our Snowflake warehouse."

Push results to Snowflake, BigQuery, Salesforce, Google Sheets, and 5 more connectors.

How it works

Connect once

Add NovoMCP to Claude. Works across Claude Desktop, Web, Mobile, and Claude Code (terminal).

Claude Desktop / Web / Mobile: Settings → Connectors → Add URL: https://ai.novomcp.com/mcp Click Connect → Enter API key → Done
Claude Code (Terminal): claude mcp add --transport http novomcp https://ai.novomcp.com/mcp claude /mcp → authenticate in browser → Done

Ask naturally

Claude recognizes molecular queries and calls the right tools automatically. 26 tools, one interface.

"Profile this molecule: CC(=O)Oc1ccccc1C(=O)O" "Optimize aspirin for QED > 0.9 and LogP ~2.5" "Search for BRAF inhibitor patents filed in 2024" "Predict the structure of this kinase domain"

Get results with compliance

Every response includes automatic safety screening. Lead optimization generates only compliant variants.

Aspirin Optimization (10 variants) ✓ DEA Controlled Substances Clear ✓ PAINS Alerts Clear ✓ Structural Alerts Clear Top variant: QED 0.93, LogP 2.48 - FAVES PASS Replaced acetyl ester with stable ether linkage Ready for ADMET screening

Start in under a minute

One URL. One API key. 26 tools available in your next Claude conversation.

Request Access