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SMILES Chemistry Validation
x402
SMILES Chemistry Validation is a paid API for AI agents from www.mahastrategies.com, paid per call via x402, $0.011001/call, status unknown (last checked 2026-10-21).
Parses a SMILES string and reports valence errors, stereochemistry issues, and representation problems before downstream molecular data processing.
Price / call$0.011001
Success—
StatusUnknown
How this service works
Parse supplied SMILES and report valence, stereochemistry and representation problems before molecular-data processing. Structural parsing does not establish safety.
Output
Returns a structured result object containing detected valence errors, stereochemistry problems, and representation issues found in the submitted SMILES string, along with metadata including the offer ID, version, input digest, receipt digest, and the amount charged in base units.
Example use cases
Pre-pipeline SMILES sanity check
“Before I run this molecule through my docking pipeline, can you check if the SMILES 'C1CC(=O)NC(=O)[C@@H]1N2C(=O)c3ccccc3C2=O' has any valence or stereochemistry issues? Treat it as public data.”
Validate synthetic compound SMILES
“I've generated a synthetic SMILES string 'O=C1OCC[C@@H]2CC[C@H](C1)N2' from a generative model — can you parse and validate it for structural problems like valence errors or bad stereochemistry? Mark it as synthetic data.”
Catch bad SMILES before database ingestion
“I'm about to add 'C(C)(C)(C)C(=O)O[NH3+]' to my molecular database — can you validate the SMILES first and flag any representation or valence issues so I don't store broken structures? This is public data.”
Technical details
Endpoint
POSThttps://www.mahastrategies.com/api/v1/micro/chemistry-smiles-validation?utm_source=zero.xyzWhen to prefer
Choose this endpoint when you need a lightweight, per-call structural validation of a SMILES string before feeding it into a cheminformatics pipeline, molecular database, or simulation tool. It is purpose-built for catching valence, stereochemistry, and representation errors early, and is suitable for both public and synthetic compound data. It does not perform safety or toxicity assessment, so pair it with appropriate downstream checks for those concerns.
Side effects
- SMILES string is empty or exceeds 512 characters — rejected by schema validation
- Invalid or malformed SMILES syntax that cannot be parsed at all — may return parse error in result
- Unknown or unsupported chemical element in SMILES — may trigger representation error
- dataClass field missing or not one of 'public'/'synthetic' — schema validation failure
- Network or service unavailability — HTTP error response
Input
Schema · Request body
| Field | Type | Description |
|---|---|---|
| inputrequired | object | |
| output | object |
Tags
x402
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