PubChemPal: Compounds — Interactive PubChem compound data extraction

Read full text
Authors: Asmaa Ali, Edelweiss Connect (Switzerland)
Cited by: 0

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