Molecular Intelligence for Any AI

Novo MCP

The intelligence layer for life sciences AI. Pre-computed ADMET predictions, regulatory compliance, and research search across 122 million compounds — inside any MCP-compatible AI assistant.

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122M+Enriched compounds

84Properties each

<50msResponse time

8Regulatory databases

Quick setup

Works with any MCP-compatible AI client. Claude, ChatGPT, Cursor, Windsurf, GitHub Copilot, and more.

Claude Desktop / Web / Mobile

1. Settings → Connectors → Add custom connector
2. Enter URL: https://www.novoquantnexus.com/novomcp/mcp
3. Click Connect — a login page opens
4. Enter your API key
5. Done!

Claude Code (Terminal)

1. claude mcp add --transport http novomcp https://www.novoquantnexus.com/novomcp/mcp
2. claude
3. /mcp  → authenticate in browser
4. Done! 27 tools now available

Cursor / Windsurf

1. Settings → MCP → Add server
2. Enter URL: https://www.novoquantnexus.com/novomcp/mcp
3. Authenticate with your API key
4. Done! All tools available in chat

Other MCP Clients

Server URL: https://www.novoquantnexus.com/novomcp/mcp
Transport: Streamable HTTP
Auth: OAuth 2.0 (automatic) or API key header

Then ask your AI: “What's the ADMET profile of aspirin?”

What's inside

Pre-computed ADMET

84 properties per molecule — hepatotoxicity, cardiotoxicity, CYP450 interactions, drug-likeness. Computed once across 122M compounds. Instant retrieval, no model queue. Novel compounds computed on-the-fly via RDKit.

ADMET Radar — Aspirin

CC(=O)Oc1ccccc1C(=O)O

85%

Abs

72%

Dis

91%

Met

78%

Exc

64%

Tox

FAVES compliance — inline, not at the gate

DEA, FDA, EPA, CWC, EU REACH — eight jurisdictions screened as part of every prediction, not as a manual step after. Controlled substance detection with scaffold pattern matching. Context-aware for intended use.

FAVES Compliance — Aspirin

CC(=O)Oc1ccccc1C(=O)O

DEA

CLEAR

FDA

CLEAR

CWC

CLEAR

EPA

CLEAR

EU REACH

CLEAR

Overall Status

CLEAR

PAINS: 0

Structural Alerts: 0

Whitelisted FDA-approved drug

Lead optimization

Generate drug-like variants targeting specific QED, LogP, and similarity thresholds. NVIDIA MolMIM under the hood. Every output auto-screened through FAVES before it's returned.

Terminal — optimize_molecule

Structure prediction

3D protein structures from sequences via OpenFold3. Accepts protein names, PDB IDs, or raw sequences. Returns PDB files with confidence scores.

Structure Prediction — EGFR

OpenFold3

pLDDT

87.4

pTM

0.82

ipTM

0.79

Clash

2.1

Sequence · Confidence

MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLK...

Very High

High

Medium

Low

Research search

Semantic search across 14,000+ papers, 2,400+ patents, 250,000+ preprints, 500,000+ clinical trials, and 2.4M ChEMBL compounds. One query, complete landscape.

Unified Research — Aspirin

5 sources · 1 query

Literature

Aspirin and cardiovascular disease prevention: a systematic review

Lancet · 2024 · Cited 142

94%

Patent

Novel aspirin formulations with improved bioavailability

USPTO · US2023/0142891 · Filed 2023

87%

Clinical Trial

ADAPTABLE: Aspirin Dosing in Cardiovascular Disease

Phase IV · Completed · n=15,076

91%

bioRxiv

COX-2 selectivity and platelet aggregation: mechanistic insights

bioRxiv · 2024 · doi:10.1101/2024.03.15

83%

ChEMBL

Bioactivity: COX-1 IC₅₀ = 1.67 µM, COX-2 IC₅₀ = 278 µM

CHEMBL25 · 1,247 assays · 892 targets

96%

Bidirectional data pipelines

Pull compounds from your Databricks or Snowflake warehouse, run ADMET and compliance processing, push enriched results back. Schema discovery and AI-assisted field mapping included.

Terminal — pull_from_source

Interactive visualizations

3D molecule viewers, ADMET radar charts, protein structures, compliance dashboards — rendered inline in supporting clients. No external tools.

Inline Visualizations

Rendered in your AI chat

ADMET Radar

FAVES Status

DEA

FDA

CWC

EPA

REACH

ALL

Properties

MW180.16

LogP1.31

QED0.55

3D Structure

Available tools

27 tools across 5 categories — all included with every account. Click to expand.

get_molecule_profileFull molecular profile with ADMET predictions and regulatory compliance. Pre-computed for 122M+ compounds.

get_molecule_infoBasic properties via RDKit: molecular weight, LogP, TPSA, hydrogen bond donors/acceptors.

calculate_propertiesOn-demand RDKit property calculation: MW, LogP, LogD, TPSA, SA Score, Lipinski/Veber violations.

get_3d_properties32+ 3D molecular properties from conformer generation: geometry, energy, electrostatics, surface/volume.

search_similarFind structurally similar molecules using Tanimoto similarity across our database.

filter_moleculesFilter by criteria: molecular weight, LogP, QED. Exclude controlled substances. Find Lipinski-compliant candidates.

batch_profileProfile multiple molecules in one request. Up to 100 compounds per call.

predict_admet40+ ADMET predictions from ML models: cardiotoxicity, CYP450, hepatotoxicity, nuclear receptors.

optimize_moleculeGenerate optimized variants with NVIDIA MolMIM. Target QED, LogP, similarity. Auto-FAVES filtering.

check_complianceFull FAVES assessment with context: Fairness, Accountability, Validity, Ethics, Safety.

screen_libraryScreen compound libraries up to 1000 molecules with optional full FAVES assessment.

get_protein_structureSmart protein resolver. Accepts names (EGFR, CDK2), PDB IDs, or sequences. Returns experimental structures or OpenFold3 predictions with 3D visualization.

predict_structure3D protein structure prediction with OpenFold3. Submit sequences, get PDB files with confidence scores.

get_structure_resultRetrieve completed structure predictions. Check status and download PDB files with confidence scores.

search_literatureSemantic search across 14,000+ curated drug discovery papers. Returns titles, authors, DOIs.

search_patentsSearch 2,400+ USPTO pharmaceutical patents by topic. Returns patent numbers, applicants, abstracts.

search_biorxivSearch bioRxiv/medRxiv preprint servers for latest research. 250k+ preprints with DOIs and abstracts.

search_chemblSearch ChEMBL database for compounds, targets, and bioactivity data. 2.4M compounds with SMILES and activity.

search_clinical_trialsSearch ClinicalTrials.gov for clinical studies. 500k+ trials with status, phase, and enrollment data.

pull_from_sourceBidirectional data pipeline: pull compounds from Databricks/Snowflake, run ADMET + FAVES processing, push enriched results back.

push_to_destinationList configured data export connections. Discover schemas, preview mappings, export results.

get_platform_infoPlatform information: database statistics, ADMET capabilities, compliance lists.

get_job_statusCheck status of async jobs (structure prediction, etc.).

get_credit_usageCheck your credit balance, usage statistics, and research value realized with an interactive dashboard.

Works with any MCP client

Claude. ChatGPT. Cursor. Windsurf. GitHub Copilot. One URL, one API key, and every tool appears in your conversation. No SDKs to install, no dashboards to learn, no context switching.

Your workflow doesn't change. It just gains molecular intelligence.

One-click setup

Add the URL, authenticate once. OAuth handles the rest. Tokens refresh automatically.

Natural language

No query syntax to learn. Describe what you need — your AI picks the right tools.

Always current

New tools and data updates ship server-side. Your setup never goes stale.

Start in under a minute

One URL. One API key. Complete molecular intelligence in your next conversation.

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