{"uid":"cap_X-cdErq3Elq5AynPh8Jgf","slug":"molecular-descriptor-pack-a713b514","name":"Molecular Descriptor Pack","description":"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.","url":"https://www.mahastrategies.com/api/v1/compute/chemistry/molecular-descriptor-pack?utm_source=zero.xyz","method":"POST","headers":{},"bodySchema":{"type":"object","properties":{"smiles":{"type":"string","maxLength":512,"minLength":1},"dataClass":{"enum":["public","synthetic"],"type":"string"}}},"responseSchema":null,"example":null,"exampleRequest":null,"tags":["x402"],"displayCostAmount":"0.017003","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":"$0.017003/call","primary":{"kind":"static","protocol":"x402","network":"base","amountUsd":"0.017003","per":"call","confidence":"exact"},"accepted":[{"kind":"static","protocol":"x402","network":"base","amountUsd":"0.017003","per":"call","confidence":"exact"}]},"paymentMethods":[{"uid":"pm_yTi0B4WWrXjt2H7Q_ERhc","protocol":"x402","methodType":"crypto","chain":"base","mode":"charge","costAmount":"0.017003","costPer":"request","priority":0,"asset":"0x833589fCD6eDb6E08f4c7C32D4f71b54bdA02913","unit":"request","depositMicros":null,"planRef":null}],"brandName":null,"brandSlug":null,"brandBaseUrl":null,"brandDocsUrl":null,"whatItDoes":"Calculates a bounded set of molecular descriptors from a SMILES string using a pinned toolkit version, with results retained for 24 hours.","exampleAgentPrompt":"Calculate the molecular descriptor pack for this SMILES string 'CC(=O)Oc1ccccc1C(=O)O' using the public data class — I need the descriptors for my research dataset.","exampleUseCases":[{"title":"QSAR model feature preparation","prompt":"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?"},{"title":"Synthetic compound dataset enrichment","prompt":"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."},{"title":"Cheminformatics research dataset preparation","prompt":"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?"}],"resultDescription":"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.","failureModes":["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"],"whenToPreferThis":"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.","instructions":null,"reviewSummary":null,"reviewSummaryHighlights":null,"reviewSummaryConcerns":null,"reviewSummaryGeneratedAt":null,"activationCount":0,"lastUsedAt":null,"lastSuccessfullyRanAt":null,"lastHealthCheckAt":"2026-10-28T06:46:52.347Z","isFirstParty":false,"canonicalSlug":"molecular-descriptor-pack-a713b514"}