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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)

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pubchem.chembl.dataset4publication_inchi_smiles.tsv.xz
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Publication date:
November 29, 2016
DOI:
10.5281/zenodo.173258

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10.5281/zenodo.173258

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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
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