PubChem Compound TOC: Drug and Medication Information

ABSTRACT: PubChem, a widely used chemical information resource, has undergone notable transformations in the last two years. Over 120 data sources have been incorporated into PubChem, enriching its data repository. Key highlights of the updates include the integration of Google Patents data, which significantly expanded the PubChem Patent collection's coverage. Additionally, new data collections for Cell Line and Taxonomy were introduced, offering convenient access to chemical information based on specific cell lines and taxa. The bioassay data model was updated to enhance its functionality. Moreover, PubChem's programmatic access protocols, PUG-REST and PUG-View, received enhancements, including support for target-centric data download and the 'standardize' option for returning standardized chemical structures. Furthermore, PubChemRDF underwent a substantial update. This paper presents a comprehensive overview of these transformative changes.

Instruction: Data underwent a cleaning process involving the removal of duplicates. Collaboratively with my colleague, we identified and eliminated redundant columns from the dataset. Additionally, we successfully modified the names of certain columns to enhance clarity and eliminate redundancy.

Inspiration: The dataset was uploaded to UBRITE for "DGR_DEPOT" summer 2023 team project

Acknowledgements: Sunghwan Kim, Jie Chen, Tiejun Cheng, Asta Gindulyte, Jia He, Siqian He, Qingliang Li, Benjamin A Shoemaker, Paul A Thiessen, Bo Yu, Leonid Zaslavsky, Jian Zhang, Evan E Bolton

Kim, Sunghwan et al. “PubChem 2023 update.” Nucleic Acids Res. vol. 51,D1 (2023): D1373-D1380. doi:10.1093/nar/gkac956

UBRITE LAST UPDATED July 1, 2023