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Molecular Profiling

Profile any molecule — in under a second

84 properties. 31 ADMET models. 8 regulatory jurisdictions. Pre-computed across 122 million compounds, retrieved in under 50 milliseconds. Novel compounds profiled on the fly. Ask your AI — no queue, no batch job, no waiting.

122M+Pre-computed compounds
84Properties each
31ADMET models
8Jurisdictions

What you get for every molecule

Already profiled. Already waiting.

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

AbsorptionDistributionMetabolismExcretionToxicity

85%

Abs

72%

Dis

91%

Met

78%

Exc

64%

Tox

Compliance as a compute layer

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

CLEAR

FDA

CLEAR

CWC

CLEAR

EPA

CLEAR

EU REACH

CLEAR

Overall Status

CLEAR

PAINS: 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 chat

ADMET Radar

FAVES Status

DEA
FDA
CWC
EPA
REACH
ALL

Properties

MW180.16
LogP1.31
QED0.55

3D Structure

Transparent by design

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

Team Plan

Remaining Balance

9,113

of 10,000 monthly credits

Resets in

18 days

887 credits used this month (8.9%)

Top Tools This Month

dock_molecules340 · 17×
run_molecular_dynamics250 · 5×
predict_admet140 · 14×
search_literature95 · 19×
get_molecule_profile62 · 31×

Profiling capabilities

Every capability available from any MCP-compatible AI assistant.

Pre-computed retrieval

122 million compounds with 84 properties 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.

Profile your first molecule

Connect NovoMCP to your AI assistant. Ask for a molecule profile. See results in under a second.