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Molecular Identity Comparison
x402
Molecular Identity Comparison is a paid API for AI agents from www.mahastrategies.com, paid per call via x402, $0.021003/call, status unknown (last checked 2026-10-19).
Compares two chemical structures with explicit handling of salts, protonation states, and stereochemistry to determine molecular identity equivalence.
Price / call$0.021003
Success—
StatusUnknown
How this service works
Compare supplied structures with explicit salt, protonation and stereochemical handling. For dataset reconciliation; no empirical identity or purity confirmation. New modular adapter: retained result recovery for 24 hours, minimal receipt metadata for 90 days. Existing live route unchanged.
Output
Returns a structured comparison result indicating whether the two supplied molecular structures are considered identical, with explicit accounting for salt forms, protonation states, and stereochemistry. Results are retained for 24 hours; minimal receipt metadata is stored for 90 days. No empirical identity or purity confirmation is provided.
Example use cases
Drug compound deduplication in registry
“I have two SMILES strings for what might be the same active pharmaceutical ingredient — left is 'CN1CCC[C@H]1c2cccnc2' and right is 'CN1CCC[C@@H]1c2cccnc2' — can you compare them for molecular identity with full stereochemical handling using synthetic data class?”
Chemical database reconciliation before merge
“We're merging two chemistry datasets and need to check if these two structures are actually the same molecule: left is 'OC(=O)c1ccccc1' and right is '[O-]C(=O)c1ccccc1' — run a molecular identity comparison treating this as synthetic data, accounting for protonation and salt forms.”
Verify supplier compound matches internal reference
“Can you check whether the compound a supplier sent us matches our internal reference structure? Left is 'Cl.CN(C)CCc1ccc(O)cc1' and right is 'CN(C)CCc1ccc(O)cc1' — I need explicit salt handling, synthetic data class.”
Technical details
Endpoint
POSThttps://www.mahastrategies.com/api/v1/compute/chemistry/molecular-identity-comparison?utm_source=zero.xyzWhen to prefer
Choose this endpoint when you need programmatic, rule-based molecular identity comparison with explicit, configurable handling of salts, protonation, and stereochemistry — particularly for dataset reconciliation workflows where two representations of a molecule may differ in form but not in identity. This is not a substitute for empirical analytical confirmation of identity or purity; use it for computational/logical equivalence checks only. Prefer this over generic string comparison or similarity search when structural equivalence rules (salt stripping, protonation normalization, stereo handling) must be applied consistently.
Side effects
- Invalid or unparseable molecular structure string — returns error indicating which side (left/right) failed parsing
- Structure string exceeds 512 character limit — returns validation error
- Missing required fields (left or right structure) — returns 400-level error
- Invalid dataClass enum value — returns schema validation error
- Service unavailable or timeout — returns 5xx error
Input
Schema · Request body
| Field | Type | Description |
|---|---|---|
| left | string | |
| right | string | |
| dataClass | string |
Tags
x402
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