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

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!