Published January 19, 2019 | Version 2
Dataset Open

ExcapeDB: An integrated large scale dataset facilitating Big Data analysis in chemogenomics

  • 1. External Sciences, Discovery Sciences, AstraZeneca R&D, Gothenburg
  • 2. Ideaconsult Ltd., 4. Angel Kanchev Str., 1000 Sofia, Bulgaria
  • 3. Computational biology, Discovery Sciences, Janssen Pharmaceutica NV, Turnhoutseweg 30, 2349 Beerse, Belgium

Description

ExcapeDB: An integrated large scale dataset facilitating Big Data analysis in chemogenomics

Supplementary file (full dataset download)

- v2 with SMILES errors fixed  (19.01.2019)

Notes

See the notebook https://github.com/ideaconsult/notebooks-ambit/tree/master/excapedb for details of v2 generation.

Files

Files (855.1 MB)

Name Size Download all
md5:afe089781eb8c77618d0af24d29b96e6
422.9 MB Download
md5:62fd2a8e36fc3c25bc0e9e42c1f7cbe5
432.2 MB Download

Additional details

Funding

ExCAPE – Exascale Compound Activity Prediction Engine 671555
European Commission