{"uid":"cap_vMgkJUsn9gAe0b_to--Fq","slug":"molecular-identity-comparison-b1b2cde0","name":"Molecular Identity Comparison","description":"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.","url":"https://www.mahastrategies.com/api/v1/compute/chemistry/molecular-identity-comparison?utm_source=zero.xyz","method":"POST","headers":{},"bodySchema":{"type":"object","properties":{"left":{"type":"string","maxLength":512,"minLength":1},"right":{"type":"string","maxLength":512,"minLength":1},"dataClass":{"enum":["public","synthetic"],"type":"string"}}},"responseSchema":null,"example":null,"exampleRequest":null,"tags":["x402"],"displayCostAmount":"0.021003","displayCostAsset":"USDC","priceDynamic":false,"priceHint":null,"priceStatus":"priced","priceSource":"probe","requiresHandshake":false,"reviewCount":0,"rating":{"score":"0.00","successRate":"0.00","reviews":0,"stars":null,"state":"unrated"},"availabilityStatus":"unknown","priceObserved":null,"sessionDeposit":null,"pricing":{"kind":"static","summary":"$0.021003/call","primary":{"kind":"static","protocol":"x402","network":"base","amountUsd":"0.021003","per":"call","confidence":"exact"},"accepted":[{"kind":"static","protocol":"x402","network":"base","amountUsd":"0.021003","per":"call","confidence":"exact"}]},"paymentMethods":[{"uid":"pm_6rLqLeoyz2ukrp_DWaiZT","protocol":"x402","methodType":"crypto","chain":"base","mode":"charge","costAmount":"0.021003","costPer":"request","priority":0,"asset":"0x833589fCD6eDb6E08f4c7C32D4f71b54bdA02913","unit":"request","depositMicros":null,"planRef":null}],"brandName":null,"brandSlug":null,"brandBaseUrl":null,"brandDocsUrl":null,"whatItDoes":"Compares two chemical structures with explicit handling of salts, protonation states, and stereochemistry to determine molecular identity equivalence.","exampleAgentPrompt":"Compare these two molecular structures for identity — left is 'CC(=O)Oc1ccccc1C(=O)O' and right is 'CC(=O)Oc1ccccc1C(=O)[O-]' — treat the data as synthetic and make sure to account for salts, protonation, and stereochemistry differences.","exampleUseCases":[{"title":"Drug compound deduplication in registry","prompt":"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?"},{"title":"Chemical database reconciliation before merge","prompt":"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."},{"title":"Verify supplier compound matches internal reference","prompt":"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."}],"resultDescription":"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.","failureModes":["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"],"whenToPreferThis":"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.","instructions":null,"reviewSummary":null,"reviewSummaryHighlights":null,"reviewSummaryConcerns":null,"reviewSummaryGeneratedAt":null,"activationCount":0,"lastUsedAt":null,"lastSuccessfullyRanAt":null,"lastHealthCheckAt":"2026-10-23T12:46:14.861Z","isFirstParty":false,"canonicalSlug":"molecular-identity-comparison-b1b2cde0"}