There is a newer version of this record available.

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
3,321
6,729
views
downloads
All versions This version
Views 3,3212,473
Downloads 6,7291,369
Data volume 2.9 TB578.9 GB
Unique views 2,7542,218
Unique downloads 3,559834
More info on how stats are collected.
Indexed in
Publication date:
November 29, 2016
DOI:
10.5281/zenodo.173258

Zenodo DOI Badge

DOI 

10.5281/zenodo.173258

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 International

Versions

Version 2 10.5281/zenodo.2543724 Jan 19, 2019
Version 1 10.5281/zenodo.173258 Nov 29, 2016
Cite all versions? You can cite all versions by using the DOI 10.5281/zenodo.675987. This DOI represents all versions, and will always resolve to the latest one. Read more.

Share

Cite as

Export