ChemPal Documentation - v1.7.0
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      ChemPal Documentation - v1.7.0

      Categories & Groups / Category

      Science Helpers

      47 entries across 4 modules.

      helpers/formulaPattern4

      helpers/pubchem18

      • PubChemProperties

        A subset of PubChem compound properties, normalized to friendly camelCase field names. Every field is optional because PUG-REST omits properties it cannot compute for a compound.

      • PubChemDescription

        A compound's textual description from PUG-REST's /description operation.

      • getCidsByCas

        Retrieves the PubChem CIDs registered for a CAS number via PUG-REST's xref/registry-number lookup. A single CAS number can map to multiple CIDs (e.g. different salt or hydrate forms). Results are cached for three days; unknown CAS numbers resolve to undefined.

      • getCidByName

        Resolves a chemical name to its best-matching PubChem CID via PUG-REST. Returns the first (highest-ranked) CID PubChem reports. Results are cached for three days.

      • getCidByFormula

        Resolves a molecular formula to its best-matching PubChem CID via the PUG-REST fastformula search (the plain name endpoint 404s on most formulas). Returns the first CID PubChem reports. Cached for three days.

      • resolveIdentifierNames
      • getCompoundProperties

        Fetches core physical/chemical properties for a compound (formula, molecular weight, IUPAC name, SMILES, InChI, InChIKey, title) via PUG-REST. These map directly onto ChemPal's product fields, so this is the primary way to enrich a product once its CID is known. Cached for three days.

      • getSynonymsByCid

        Fetches PubChem's popularity-ranked synonyms for a compound by CID via PUG-REST. Prefer this over getRankedNamesByName when the CID is already known, as it avoids an ambiguous name lookup. Cached for three days.

      • getCompoundDescription

        Fetches a short human-readable description of a compound (with its source) by CID via PUG-REST. Useful for surfacing a plain-language blurb in the product detail view. Cached for three days.

      • pubchemCompoundUrl
      • pubchemCasSearchUrl
      • pubchemStructureImageUrl
      • executeSDQSearch

        Query the SDQ agent for a compound name from a synonym. Results are cached for three days.

      • getCompoundNameFromAlias
      • getRankedNamesByName

        Fetches PubChem's popularity-ranked synonyms for a chemical name via PUG-REST, caching results for three days. The leading entries are the most commonly used names, and CAS numbers appear inline among them. Returns undefined when PubChem has no match.

      • isSimpleName
      • suggestAlternativeSearch
      • getPubchemIdFromDocument

      helpers/science24

      helpers/science.<internal>1

      • GradeRegexes

        Regex patterns used for parse classification values or labeled fields