webchem
An R package to programmatically retrieve chemical information from various web databases and APIs.
What is webchem?
Webchem is an R package that provides functions to retrieve chemical information from various web-based databases and APIs. It solves the problem of manually querying multiple chemical data sources by offering a unified, programmatic interface to access compound data, identifiers, properties, and nomenclature from services like PubChem, ChemSpider, and ChEBI.
Researchers, data scientists, and analysts working in cheminformatics, toxicology, environmental science, or pharmacology who need to programmatically access chemical data within R workflows.
Developers choose Webchem for its extensive coverage of chemical databases, consistent API design, and seamless integration into R-based analysis pipelines, eliminating the need for custom web scraping or manual data aggregation.
Overview
Chemical Information from the Web
Use Cases
Best For
- Retrieving chemical properties and identifiers from PubChem or ChemSpider
- Converting between different chemical identifier types (e.g., CAS to SMILES)
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