NovoMCP | Molecular Intelligence for Claude

The Research Engine for Claude

NovoMCP

Connect your AI to a universe of discovery data. Instantly access 122M+ enriched molecules, scientific literature, patents, clinical trials, and more—with predictions, compliance, and context already waiting.

Request Access View setup
122M+
Enriched compounds
84
Properties each
<50ms
Response time
8
Regulatory databases

Quick setup

Works on Claude.ai (web), Claude Desktop, Claude Mobile, and Claude API.

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

NovoMCP uses OAuth for seamless authentication. No config files needed—just add the URL and authenticate in your browser.

Then ask Claude: "What's the ADMET profile of aspirin?"

What makes this different

Pre-computed ADMET

Fifty properties per molecule. Hepatotoxicity, cardiotoxicity, CYP450 interactions, drug-likeness. No waiting for models—the answers are already computed and indexed for instant retrieval.

Regulatory compliance

DEA, FDA, EPA, CWC, EU REACH. Eight jurisdictions checked in a single call. Controlled substance detection with 24 scaffold patterns. Context-aware assessment for intended use.

Novel molecule support

Compound not in our database? NovoMCP computes properties on-the-fly with RDKit and runs FAVES V3 regulatory screening. No molecule left behind.

Molecular optimization

Generate drug-like variants with NVIDIA MolMIM. Every output automatically screened—controlled substances never slip through.

Structure prediction

3D protein structures from amino acid sequences via OpenFold3. Submit a sequence, receive a PDB file. Same API, no context switching.

Unified research search

Connect molecules to a world of context. Semantic search across 14,000+ curated papers, 2,400+ patents, plus the latest findings from bioRxiv, ChEMBL, and ClinicalTrials.gov.

Available tools

21 tools, 5 resources, and 4 prompts across four access tiers.

Free tier (4 tools)
get_molecule_profile
Full molecular profile with ADMET predictions and regulatory compliance. Pre-computed for 122M+ compounds.
get_molecule_info
Basic properties via RDKit: molecular weight, LogP, TPSA, hydrogen bond donors/acceptors.
get_platform_info
Platform information: subscription tiers, database statistics, ADMET capabilities, compliance lists.
get_job_status
Check status of async jobs (structure prediction, etc.). Always free.
Pro tier (+9 tools)
search_similar
Find structurally similar molecules using Tanimoto similarity across our database.
filter_molecules
Filter by criteria: molecular weight, LogP, QED. Exclude controlled substances. Find Lipinski-compliant candidates.
batch_profile
Profile multiple molecules in one request. Up to 100 compounds per call.
calculate_properties
On-demand RDKit property calculation: MW, LogP, LogD, TPSA, SA Score, Lipinski/Veber violations.
search_literature
Semantic search across 14,000+ curated drug discovery papers. Returns titles, authors, DOIs.
search_patents
Search 2,400+ USPTO pharmaceutical patents by topic. Returns patent numbers, applicants, abstracts.
search_biorxiv
Search bioRxiv/medRxiv preprint servers for latest research. 250k+ preprints with DOIs and abstracts.
search_chembl
Search ChEMBL database for compounds, targets, and bioactivity data. 2.4M compounds with SMILES and activity.
search_clinical_trials
Search ClinicalTrials.gov for clinical studies. 500k+ trials with status, phase, and enrollment data.
Team tier (+5 tools)
optimize_molecule
Generate optimized variants with NVIDIA MolMIM. Target QED, LogP, similarity. Auto-FAVES filtering.
predict_structure
3D protein structure prediction with OpenFold3. Submit sequences, get PDB files with confidence scores.
get_structure_result
Retrieve completed structure predictions. Check status and download PDB files.
predict_admet
40+ ADMET predictions from ML models: cardiotoxicity, CYP450, hepatotoxicity, nuclear receptors.
get_3d_properties
32+ 3D molecular properties from conformer generation: geometry, energy, electrostatics, surface/volume.
Enterprise tier (+2 tools)
check_compliance
Full FAVES assessment with context: Fairness, Accountability, Validity, Ethics, Safety.
screen_library
Screen compound libraries up to 1000 molecules with optional full FAVES assessment.

Simple pricing

Pay for what you use. 1 credit = $0.01. No subscriptions required.

Free
$0
100 queries/day
  • Molecule profiling
  • Basic properties
  • Platform info
  • Job status checks
Pro
$80/mo
1,000 queries/day
  • All Free features
  • Similarity search
  • Batch profiling
  • Literature & patents
  • ChEMBL & trials
Team
$350/mo
10,000 queries/day
  • All Pro features
  • Molecular optimization
  • Structure prediction
  • ADMET ML models
  • 3D properties
Enterprise
Custom
Unlimited
  • All Team features
  • Full FAVES compliance
  • Library screening
  • Dedicated support
  • Custom integrations

Credit costs by operation

1-2
Basic lookup
get_molecule_info
5
Database search
search_similar, search_literature
10-25
ML prediction
predict_admet, optimize_molecule
50-100
Heavy compute
predict_structure, screen_library

Built to extend Claude

NovoMCP exists because large language models need specialized tools for specialized domains. Drug discovery requires molecular intelligence that no general-purpose model can hold in context.

We built this as native MCP infrastructure—designed from the start to work alongside Claude and Anthropic's ecosystem. Not a wrapper around existing APIs. Purpose-built plumbing that gives AI assistants genuine capability in chemistry.

MCP-native architecture Streamable HTTP transport, tool schemas, OAuth—built to the protocol spec
Complements, doesn't compete Infrastructure layer that extends what Claude can do, not what Claude is
Production-ready Deployed on Azure, handling real queries, not a demo or proof-of-concept

Ready to begin?

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