ChEMBL

The ChEMBL dataset is a large collection of bioactive molecules, with over 10 million molecules, that can be used for various machine learning tasks, including molecular design.

Data and Resources

Cite this as

Chenghui Zhou, Barnabás Póczos (2024). Dataset: ChEMBL. https://doi.org/10.57702/6ffppl4i

DOI retrieved: December 2, 2024

Additional Info

Field Value
Created December 2, 2024
Last update December 2, 2024
Defined In https://doi.org/10.48550/arXiv.2212.02750
Citation
  • https://doi.org/10.48550/arXiv.2312.09865
  • https://doi.org/10.48550/arXiv.2007.04897
  • https://doi.org/10.48550/arXiv.2404.03969
Author Chenghui Zhou
More Authors
Barnabás Póczos
Homepage https://www.ebi.ac.uk/chembl/