PubChemPal: Compounds — Interactive PubChem compound data extraction
Abstract
PubChemPal: Compounds is an interactive, user-friendly application for retrieving, cleaning, and exploring structured PubChem compound information using either CAS numbers or PubChem CIDs. It supports extraction of 30+ detailed data sections per compound (e.g., chemical/physical properties, synonyms, cross-references, regulatory information, toxicity, bioactivity/assay results, literature references, pathways, patents), and provides source references to support traceability and transparent downstream use in research and regulatory contexts. Web application: https://pubchempal.edelweissconnect.com/ Key features Identifier resolution: CAS number → PubChem CID; direct CID support Section-based retrieval (choose one or multiple PubChem sections) Tabular exploration in-app Export of retrieved sections (e.g., CSV/ZIP export)
Fields of Study & Subjects
Computational Drug Discovery Methods
Research Data Management Practices
Biomedical Text Mining and Ontologies
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 16 January 2026
- Language
- EN