Dataset Open Access

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

Sun, Jiangming; Jeliazkova, Nina; Chupakin, Vladimir; Golib-Dzib, Jose-Felipe; Engkvist, Ola; Carlsson, Lars; Wegner, Jörg; Ceulemans, Hugo; Georgiev, Ivan; Jeliazkov, Vedrin; Kochev, Nikolay; Chen, Hongming

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

Supplementary file (full dataset download)

Files (422.9 MB)
Name Size
pubchem.chembl.dataset4publication_inchi_smiles.tsv.xz
md5:afe089781eb8c77618d0af24d29b96e6 		422.9 MB Download
254
7
views
downloads
All versions This version
Views 254254
Downloads 77
Data volume 3.0 GB3.0 GB
Unique views 250250
Unique downloads 77
More info on how stats are collected.
Indexed in
Publication date:
November 29, 2016
DOI:
10.5281/zenodo.173258

Zenodo DOI Badge

Markdown 

[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.173258.svg)](https://doi.org/10.5281/zenodo.173258)

reStructedText 

.. image:: https://zenodo.org/badge/DOI/10.5281/zenodo.173258.svg
   :target: https://doi.org/10.5281/zenodo.173258

HTML 

<a href="https://doi.org/10.5281/zenodo.173258"><img src="https://zenodo.org/badge/DOI/10.5281/zenodo.173258.svg" alt="DOI"></a>

Image URL 

https://zenodo.org/badge/DOI/10.5281/zenodo.173258.svg

Target URL 

https://doi.org/10.5281/zenodo.173258

Keyword(s):
chemogenomics
Grants:
European Commission:
  • ExCAPE - Exascale Compound Activity Prediction Engine (671555)
Communities:
License (for files):
Creative Commons Attribution Share-Alike 4.0

Share

Cite as

Export