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Molecular Descriptor Pack
x402
Molecular Descriptor Pack is a paid API for AI agents from www.mahastrategies.com, paid per call via x402, $0.017003/call, status unknown (last checked 2026-10-28).
Calculates a bounded set of molecular descriptors from a SMILES string using a pinned toolkit version, with results retained for 24 hours.
Price / call$0.017003
Success—
StatusUnknown
How this service works
Calculate a bounded set of molecular descriptors using a pinned toolkit version. For research dataset preparation; descriptors do not certify drug suitability or toxicity. New modular adapter: retained result recovery for 24 hours, minimal receipt metadata for 90 days. Existing live route unchanged.
Output
A bounded set of molecular descriptors computed from the provided SMILES string using a pinned toolkit version. Results are retained for 24 hours for recovery; minimal receipt metadata is kept for 90 days. The response does not certify drug suitability or toxicity.
Example use cases
QSAR model feature preparation
“I'm building a QSAR model and need molecular descriptors for aspirin — the SMILES is 'CC(=O)Oc1ccccc1C(=O)O'. Can you run the molecular descriptor pack on it using the public data class?”
Synthetic compound dataset enrichment
“I have a set of synthetic compounds I'm preparing for an ML dataset. Start with this one — SMILES 'CN1CCC[C@H]1c2cccnc2' — and compute its full molecular descriptor pack, marking the data class as synthetic.”
Cheminformatics research dataset preparation
“For my research dataset I need the pinned-toolkit molecular descriptor pack computed for caffeine (SMILES: 'Cn1cnc2c1c(=O)n(c(=O)n2C)C'), labeled as public data. What descriptors come back?”
Technical details
Endpoint
POSThttps://www.mahastrategies.com/api/v1/compute/chemistry/molecular-descriptor-pack?utm_source=zero.xyzWhen to prefer
Choose this endpoint when you need a reproducible, pinned-version descriptor calculation for research or ML dataset preparation and require result retention for up to 24 hours. It is appropriate for both public and synthetic compound classes and is ideal when consistency across dataset runs matters more than access to the latest descriptor toolkit version.
Side effects
- Invalid or unparseable SMILES string returns an error
- SMILES string exceeds 512 character limit
- Missing required smiles field returns validation error
- Invalid dataClass enum value (not 'public' or 'synthetic') returns error
- Payment failure via x402 protocol blocks the request
- Result not found after 24-hour retention window expires
Input
Schema · Request body
| Field | Type | Description |
|---|---|---|
| smiles | string | |
| dataClass | string |
Tags
x402
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