glsalierno/cas-to-chem-data: CAS to Chem Data v1.0.0

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Authors: Gabriel Salierno
Cited by: 0

Abstract

Overview Initial release of PubChem CAS Retrieval Tools: Python scripts to fetch chemical data from PubChem using CAS or names. Supports SMILES, InChI, IUPAC, CAS, and tox data. Batch processing via TXT files or args, with delays to avoid rate limits. Key Features Versatile CAS/name queries. Tox and structural data. Rate-limit compliant. Usage Batch: python fetch_chem_data.py --input cas.txt --output data.csv. Dependencies: requests. For citation: Archived on Zenodo. DOI: [Insert Zenodo DOI after publishing]. Aug 12, 2025 update—streamline your PubChem access!

Fields of Study & Subjects

Computational Drug Discovery Methods History and advancements in chemistry Research Data Management Practices

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
3 February 2026