There is a newer version of this record available.

Software Open Access

Machine Learning Models for Predicting Kinase Inhibitors with Different Binding Modes

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


JSON-LD (schema.org) Export

{
  "description": "<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>", 
  "license": "https://creativecommons.org/licenses/by/4.0/legalcode", 
  "creator": [
    {
      "affiliation": "Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universit\u00e4t, Endenicher Allee 19c, D-53115 Bonn, Germany.", 
      "@type": "Person", 
      "name": "Miljkovi\u0107, Filip"
    }, 
    {
      "affiliation": "Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universit\u00e4t, Endenicher Allee 19c, D-53115 Bonn, Germany.", 
      "@type": "Person", 
      "name": "Rodr\u00edguez-P\u00e9rez, Raquel"
    }, 
    {
      "affiliation": "Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universit\u00e4t, Endenicher Allee 19c, D-53115 Bonn, Germany.", 
      "@id": "https://orcid.org/0000-0002-0557-5714", 
      "@type": "Person", 
      "name": "Bajorath, J\u00fcrgen"
    }
  ], 
  "url": "https://zenodo.org/record/3370478", 
  "datePublished": "2019-08-18", 
  "keywords": [
    "protein kinases", 
    "kinase inhibitors", 
    "machine learning", 
    "inhibitor binding modes", 
    "classification models", 
    "X-ray data"
  ], 
  "@context": "https://schema.org/", 
  "identifier": "https://doi.org/10.5281/zenodo.3370478", 
  "@id": "https://doi.org/10.5281/zenodo.3370478", 
  "@type": "SoftwareSourceCode", 
  "name": "Machine Learning Models for Predicting Kinase Inhibitors with Different Binding Modes"
}
1,009
590
views
downloads
All versions This version
Views 1,009828
Downloads 590434
Data volume 189.7 GB167.7 GB
Unique views 858743
Unique downloads 354274

Share

Cite as