descriptionchemical

Descriptionchemical is a term used in chemical informatics to denote a standardized textual representation that describes a chemical substance. The concept is intended to complement structured identifiers like CAS numbers and molecular formulas by providing human- and machine-readable descriptions covering identity, properties, synthesis, uses, and hazards.

In practice, descriptionchemical may be stored as a dedicated field or attribute in chemical databases, laboratory information management systems, and digital libraries. It supports search and discovery by enabling natural-language queries and by aiding data curation and integration across datasets that use different naming conventions.

A typical description may include several elements: identity (name and synonyms), physical and chemical properties (molar mass, state, melting/boiling points), synthesis or source, applications, and safety information (handling, storage, regulatory notes). The text can be free-form or semi-structured, with controlled vocabularies used to reduce ambiguity.

Example: for water (H2O), descriptionchemical might read "Water, chemical formula H2O, colorless, odorless liquid at room temperature; density 1.0 g/cm3; boiling point 100°C; ubiquitous solvent and essential for life; handled as non-hazardous under normal conditions."

Challenges include ambiguity of language, multilingual descriptions, and variation in level of detail. Efforts to improve descriptionchemical focus on standardizing terminology, linking descriptions to unique identifiers (such as InChI or InChIKey), and integrating with ontologies that describe properties and relationships among chemicals.

See also: chemical descriptors, chemical databases, IUPAC nomenclature, InChI, SMILES.