Eliminate weak candidates in seconds
Use this as your first pass before docking, optimization, or simulation. 100+ data fields, 31 ADMET models, 8 regulatory jurisdictions - pre-computed across 122 million compounds. Identify toxic, non-viable, or non-compliant molecules before investing in deeper analysis.
What you get for every molecule
Screen millions of compounds instantly
Hepatotoxicity, cardiotoxicity, CYP450 interactions, drug-likeness, structural alerts. Pre-computed once across 122 million compounds. Novel compounds profiled on the fly with 31 ML models - without model queues or compute allocation.
ADMET Radar - Aspirin
CC(=O)Oc1ccccc1C(=O)O
85%
Abs
72%
Dis
91%
Met
78%
Exc
64%
Tox
Catch regulatory dead-ends before they cost you
Eight jurisdictions - DEA, FDA, EPA, CWC, EU REACH, BTWC, Australia, OPCW - screened inline with every prediction. Controlled substance detection with scaffold pattern matching. Context-aware for intended use. Compliance runs inside the pipeline - not as a manual step 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
See the results where you work
ADMET radar charts, compliance dashboards, molecular structures - rendered inline in Claude, ChatGPT, and VS Code. Your team sees results and visualizations in the same conversation - without exporting to external tools.
Inline Visualizations
Rendered in your AI chatADMET Radar
FAVES Status
Properties
3D Structure
Know exactly what you're spending
2 credits per profile. 10 for ADMET-only. 10 for compliance. Visible in your chat any time you ask. No hidden costs, no surprise overages - without logging into a separate billing portal.
NovoMCP
Credit Usage
Remaining Balance
9,113
of 10,000 monthly credits
Resets in
18 days
887 credits used this month (8.9%)
Top Tools This Month
Profiling capabilities
Every capability available from any MCP-compatible AI assistant.
Pre-computed retrieval
122 million compounds with 100+ data fields each. Retrieved in under 50 milliseconds by SMILES lookup.
Novel molecule profiling
31 ML ADMET models run on the fly for any SMILES not in the database. CYP450, toxicity, nuclear receptors, stress response.
Batch profiling
Profile up to 100 compounds in a single request. Full ADMET, compliance, and property data for each.
FAVES compliance
Context-aware regulatory screening across 8 jurisdictions. Takes intended use, therapeutic area, and jurisdiction as inputs.
Drug-likeness rules
Lipinski, Veber, Ghose, Egan, and Muegge rule checks computed with every profile. QED and synthetic accessibility included.
Library screening
Screen up to 1,000 compounds with optional full FAVES assessment and property-range filtering in a single call.
Use this when you need to
Screen candidates before committing to docking or simulation
Identify ADMET liabilities early - not after optimization
Check regulatory compliance across 8 jurisdictions inline
Profile novel compounds on the fly with no queue or batch job
The first filter in your pipeline
Eliminate weak candidates in seconds - before investing in deeper analysis.