olekuinfot

Olekuinfot is a term used in molecular informatics to denote structured information about molecules, including identifiers, structural representations, properties, and related metadata. In practice, it describes data models and datasets that store information for computational analysis, simulation, and discovery workflows.

Typical contents of olekuinfot include molecular identifiers such as SMILES, InChI and InChIKey, molecular formula and weight, three‑dimensional coordinates and stereochemistry, physicochemical properties (for example logP, pKa, solubility), experimental data (spectra, assay results), and information on synthesis or supplier catalogs. Provenance, licensing, and data lineage are integral, with cross-links to other databases to enable integration. Standards often rely on ontologies and controlled vocabularies to support interoperability.

Access is usually provided through application programming interfaces or bulk downloads in formats such as JSON, SDF or XML. Researchers use olekuinfot for molecular modeling, quantitative structure–activity relationship studies, library design, and safety assessments, where consistent representation and traceability are essential.

As a concept, olekuinfot reflects ongoing efforts to unify molecular data representation and to promote open, reusable information across chemistry and related disciplines. See also chemical informatics, molecular databases, and open data initiatives in science.