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Machine Learning Models for Predicting Kinase Inhibitors with Different Binding Modes

Miljković, Filip; Rodríguez-Pérez, Raquel; Bajorath, Jürgen


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{
  "publisher": "Zenodo", 
  "DOI": "10.5281/zenodo.3370478", 
  "author": [
    {
      "family": "Miljkovi\u0107, Filip"
    }, 
    {
      "family": "Rodr\u00edguez-P\u00e9rez, Raquel"
    }, 
    {
      "family": "Bajorath, J\u00fcrgen"
    }
  ], 
  "issued": {
    "date-parts": [
      [
        2019, 
        8, 
        18
      ]
    ]
  }, 
  "abstract": "<p>Random forest (RF), support-vector machine (SVM), and deep neural network (DNN) models for predicting kinase inhibitors with different binding modes in X-ray structures are made available together with the data sets used for training and testing.</p>\n\n<p>Please refer to READ_ME.txt for more information.</p>", 
  "title": "Machine Learning Models for Predicting Kinase Inhibitors with Different Binding Modes", 
  "type": "article", 
  "id": "3370478"
}
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