CoolFace
Datasetpublic

molssiai-hub/pubchem-04-18-2025

PubChem (https://pubchem.ncbi.nlm.nih.gov) is a popular chemical information resource that serves a wide range of use cases. In the past two years, a number of changes were made to PubChem. Data from more than 120 data sources was added to PubChem. Some major highlights include: the integration of Google Patents data into PubChem, which greatly expanded the coverage of the PubChem Patent data collection; the creation of the Cell Line and Taxonomy data collections, which provide quick and easy access to chemical information for a given cell line and taxon, respectively; and the update of the bioassay data model. In addition, new functionalities were added to the PubChem programmatic access protocols, PUG-REST and PUG-View, including support for target-centric data download for a given protein, gene, pathway, cell line, and taxon and the addition of the `standardize` option to PUG-REST, which returns the standardized form of an input chemical structure. A significant update was also made to PubChemRDF. The present paper provides an overview of these changes.

sourceHugging Facepddlupdated 6mo agoView on Hugging Face
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7 commits on main
d0dacba6mo ago

Add paper and GitHub links, update task categories (#2)

smostafanejad, nielsr
f2be8ac1y ago

adds the deprecation note to dataset card

smostafanejad
1923d261y ago

renames the last SDF file name (bug fix)

smostafanejad
3aafac81y ago

adds the dataset card

SinaMostafanejad
93ab62f1y ago

adds load script

smostafanejad
10b85421y ago

adds the data

smostafanejad
5fff21a1y ago

initial commit

smostafanejad