January 16, 2020 Software documentation Open Access

Haralambos Sarimveis

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  <identifier identifierType="DOI">10.5281/zenodo.3610182</identifier>
  <creators>
    <creator>
      <creatorName>Haralambos Sarimveis</creatorName>
      <affiliation>School of Chemical Engineering</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Jaqpot 5: How to simulate biodistribution scenarios using custom PBPK models</title>
  </titles>
  <publisher>Zenodo</publisher>
  <publicationYear>2020</publicationYear>
  <subjects>
    <subject>Machine learning</subject>
    <subject>Biokinetics</subject>
    <subject>ChemInformatics</subject>
    <subject>NanoInformatics</subject>
  </subjects>
  <contributors>
    <contributor contributorType="ContactPerson">
      <contributorName>Haralambos Sarimveis</contributorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-8607-9965</nameIdentifier>
      <affiliation>School of Chemical Engineering</affiliation>
    </contributor>
    <contributor contributorType="ContactPerson">
      <contributorName>Pantelis Karatzas</contributorName>
      <affiliation>School of Chemical Engineering</affiliation>
    </contributor>
    <contributor contributorType="ContactPerson">
      <contributorName>Philip Doganis</contributorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-0628-8434</nameIdentifier>
      <affiliation>School of Chemical Engineering</affiliation>
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  <dates>
    <date dateType="Issued">2020-01-16</date>
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    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
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  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;Jaqpot 5 is a user-friendly web-based e-infrastructure that allows model developers to deploy their predictive models and share them through the web. The Jaqpot 5 GUI&amp;nbsp; directs the model developers to further document their models in a way that can be easily understood and used by end-users with little or no experience on machine learning and statistical analysis.&amp;nbsp;&amp;nbsp; The GUI also allows the end-users to apply the models on their own data for validation and/or prediction purposes and the results are collected and visualised in automatically generated tables, graphs and reports. All major machine learning and statistical data-driven algorithms are supported in Jaqpot 5,&amp;nbsp; by integrating popular libraries such as the Python Scikit-learn and the R Caret libraries. Jaqpot 5 has been designed as a generic modelling and machine learning web platform, but particular emphasis is given on serving the needs of the chemo/bio/nano/pharma/ communities by integrating QSAR, biokinetics, dose-response and read-across models.&amp;nbsp; Jaqpot 5 has been developed by the &lt;a href="https://www.chemeng.ntua.gr/labs/control_lab/index.html"&gt;Unit of Process Control and Informatics&lt;/a&gt; in the School of Chemical Engineering at the National Technical University of Athens.&lt;/p&gt;

&lt;p&gt;&amp;nbsp;&lt;/p&gt;

&lt;p&gt;This document provides a tutorial for simulating biodistribution scenarios using custom PBPK models that have been deployed on Jaqpot5. The resource has been made available at &lt;a href="https://app.jaqpot.org/"&gt;https://app.jaqpot.org/&lt;/a&gt;.&lt;/p&gt;</description>
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      <funderName>European Commission</funderName>
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      <awardTitle>The European Nanotechnology Community Informatics Platform: Bridging data and disciplinary gaps for industry and regulators (NanoCommons)</awardTitle>
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      <funderName>European Commission</funderName>
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      <awardTitle>OpenRiskNet: Open e-Infrastructure to Support Data Sharing, Knowledge Integration and in silico Analysis and Modelling in Risk Assessment</awardTitle>
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