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


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  "@id": "https://doi.org/10.5281/zenodo.173258", 
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      "affiliation": "External Sciences, Discovery Sciences, AstraZeneca R&D, Gothenburg", 
      "name": "Sun, Jiangming"
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      "affiliation": "Ideaconsult Ltd., 4. Angel Kanchev Str., 1000 Sofia, Bulgaria", 
      "name": "Jeliazkova, Nina"
    }, 
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      "affiliation": "Computational biology, Discovery Sciences, Janssen Pharmaceutica NV, Turnhoutseweg 30, 2349 Beerse, Belgium", 
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      "affiliation": "Computational biology, Discovery Sciences, Janssen Pharmaceutica NV, Turnhoutseweg 30, 2349 Beerse, Belgium", 
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      "affiliation": "External Sciences, Discovery Sciences, AstraZeneca R&D, Gothenburg", 
      "name": "Engkvist, Ola"
    }, 
    {
      "@type": "Person", 
      "affiliation": "External Sciences, Discovery Sciences, AstraZeneca R&D, Gothenburg", 
      "name": "Carlsson, Lars"
    }, 
    {
      "@type": "Person", 
      "affiliation": "Computational biology, Discovery Sciences, Janssen Pharmaceutica NV, Turnhoutseweg 30, 2349 Beerse, Belgium", 
      "name": "Wegner, J\u00f6rg"
    }, 
    {
      "@type": "Person", 
      "affiliation": "Computational biology, Discovery Sciences, Janssen Pharmaceutica NV, Turnhoutseweg 30, 2349 Beerse, Belgium", 
      "name": "Ceulemans, Hugo"
    }, 
    {
      "@type": "Person", 
      "affiliation": "Ideaconsult Ltd., 4. Angel Kanchev Str., 1000 Sofia, Bulgaria", 
      "name": "Georgiev, Ivan"
    }, 
    {
      "@type": "Person", 
      "affiliation": "Ideaconsult Ltd., 4. Angel Kanchev Str., 1000 Sofia, Bulgaria", 
      "name": "Jeliazkov, Vedrin"
    }, 
    {
      "@type": "Person", 
      "affiliation": "Ideaconsult Ltd., 4. Angel Kanchev Str., 1000 Sofia, Bulgaria", 
      "name": "Kochev, Nikolay"
    }, 
    {
      "@type": "Person", 
      "affiliation": "External Sciences, Discovery Sciences, AstraZeneca R&D, Gothenburg", 
      "name": "Chen, Hongming"
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  ], 
  "datePublished": "2016-11-29", 
  "description": "<p>ExcapeDB: An integrated large scale dataset facilitating Big Data analysis in chemogenomics</p>\n\n<p>Supplementary file (full dataset download)</p>", 
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      "contentUrl": "https://zenodo.org/api/files/4f289387-d881-45b8-bfd5-ed0922ec4e94/pubchem.chembl.dataset4publication_inchi_smiles.tsv.xz", 
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  "identifier": "https://doi.org/10.5281/zenodo.173258", 
  "keywords": [
    "chemogenomics"
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  "license": "https://creativecommons.org/licenses/by-sa/4.0/", 
  "name": "ExcapeDB: An integrated large scale dataset facilitating Big Data analysis in chemogenomics", 
  "url": "https://zenodo.org/record/173258"
}
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