Dataset Open Access

Predictive models for off-target binding profiles generation

Lampa, Samuel; Alvarsson, Jonathan; Arvidsson Mc Shane, Staffan; Berg, Arvid; Ahlberg, Ernst; Spjuth, Ola


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{
  "description": "<p>Models for predicting off-target binding, built with Conformal Prediction, and the <a href=\"http://cpsign-docs.genettasoft.com\">CPSign software</a>. The dataset is part of an upcoming publication (Manuscript in preparation), which will provide more details.</p>\n\n<p>The dataset is a GZipped Tar archive, with the models as Java Archive (JAR) files. For every JAR-file, there is also a corresponding audit log, with the extension &quot;.audit.json&quot;, produced by the workflow software (<a href=\"http://scipipe.org\">SciPipe</a>) used to train the models. This audit file contains all the shell commands used in the workflow that produced the models.</p>", 
  "license": "https://creativecommons.org/licenses/by/4.0/legalcode", 
  "creator": [
    {
      "affiliation": "Pharmaceutical Bioinformatics group, Department of Pharmaceutical Biosciences, Uppsala University, Uppsala, Sweden", 
      "@id": "https://orcid.org/0000-0001-6740-9212", 
      "@type": "Person", 
      "name": "Lampa, Samuel"
    }, 
    {
      "affiliation": "Pharmaceutical Bioinformatics group, Department of Pharmaceutical Biosciences, Uppsala University, Uppsala, Sweden", 
      "@id": "https://orcid.org/0000-0002-8682-7206", 
      "@type": "Person", 
      "name": "Alvarsson, Jonathan"
    }, 
    {
      "affiliation": "Pharmaceutical Bioinformatics group, Department of Pharmaceutical Biosciences, Uppsala University, Uppsala, Sweden", 
      "@id": "https://orcid.org/0000-0001-6709-7116", 
      "@type": "Person", 
      "name": "Arvidsson Mc Shane, Staffan"
    }, 
    {
      "affiliation": "Pharmaceutical Bioinformatics group, Department of Pharmaceutical Biosciences, Uppsala University, Uppsala, Sweden", 
      "@type": "Person", 
      "name": "Berg, Arvid"
    }, 
    {
      "affiliation": "Predictive Compound ADME & Safety, Drug Safety & Metabolism, AstraZeneca IMED Biotech Unit, M\u00f6lndal, Sweden", 
      "@type": "Person", 
      "name": "Ahlberg, Ernst"
    }, 
    {
      "affiliation": "Pharmaceutical Bioinformatics group, Department of Pharmaceutical Biosciences, Uppsala University, Uppsala, Sweden", 
      "@id": "https://orcid.org/0000-0002-8083-2864", 
      "@type": "Person", 
      "name": "Spjuth, Ola"
    }
  ], 
  "url": "https://zenodo.org/record/1286304", 
  "datePublished": "2018-06-09", 
  "version": "0.9", 
  "keywords": [
    "Conformal Prediction", 
    "Off-target Pharmacology", 
    "LibLinear", 
    "ADMET", 
    "Toxicity", 
    "Toxicology"
  ], 
  "@context": "https://schema.org/", 
  "distribution": [
    {
      "contentUrl": "https://zenodo.org/api/files/e3c7f5ac-c5a0-4e8c-be7a-16e2122212e9/ptp_models_20180610.tar.gz", 
      "encodingFormat": "gz", 
      "@type": "DataDownload"
    }
  ], 
  "identifier": "https://doi.org/10.5281/zenodo.1286304", 
  "@id": "https://doi.org/10.5281/zenodo.1286304", 
  "@type": "Dataset", 
  "name": "Predictive models for off-target binding profiles generation"
}
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