Software documentation Open Access

Jaqpot 5: How to simulate biodistribution scenarios using custom PBPK models

Haralambos Sarimveis


MARC21 XML Export

<?xml version='1.0' encoding='UTF-8'?>
<record xmlns="http://www.loc.gov/MARC21/slim">
  <leader>00000nam##2200000uu#4500</leader>
  <datafield tag="653" ind1=" " ind2=" ">
    <subfield code="a">Machine learning</subfield>
  </datafield>
  <datafield tag="653" ind1=" " ind2=" ">
    <subfield code="a">Biokinetics</subfield>
  </datafield>
  <datafield tag="653" ind1=" " ind2=" ">
    <subfield code="a">ChemInformatics</subfield>
  </datafield>
  <datafield tag="653" ind1=" " ind2=" ">
    <subfield code="a">NanoInformatics</subfield>
  </datafield>
  <controlfield tag="005">20200120172736.0</controlfield>
  <controlfield tag="001">3610182</controlfield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">School of Chemical Engineering</subfield>
    <subfield code="0">(orcid)0000-0002-8607-9965</subfield>
    <subfield code="4">prc</subfield>
    <subfield code="a">Haralambos Sarimveis</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">School of Chemical Engineering</subfield>
    <subfield code="4">prc</subfield>
    <subfield code="a">Pantelis Karatzas</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">School of Chemical Engineering</subfield>
    <subfield code="0">(orcid)0000-0002-0628-8434</subfield>
    <subfield code="4">prc</subfield>
    <subfield code="a">Philip Doganis</subfield>
  </datafield>
  <datafield tag="856" ind1="4" ind2=" ">
    <subfield code="s">1278256</subfield>
    <subfield code="z">md5:9f1d0470a191c793521af49947d2fb41</subfield>
    <subfield code="u">https://zenodo.org/record/3610182/files/JPQ5_UI_TUTORIAL_NTUA_PBPK.pdf</subfield>
  </datafield>
  <datafield tag="542" ind1=" " ind2=" ">
    <subfield code="l">open</subfield>
  </datafield>
  <datafield tag="260" ind1=" " ind2=" ">
    <subfield code="c">2020-01-16</subfield>
  </datafield>
  <datafield tag="909" ind1="C" ind2="O">
    <subfield code="p">openaire</subfield>
    <subfield code="p">user-nanocommons</subfield>
    <subfield code="o">oai:zenodo.org:3610182</subfield>
  </datafield>
  <datafield tag="100" ind1=" " ind2=" ">
    <subfield code="u">School of Chemical Engineering</subfield>
    <subfield code="a">Haralambos Sarimveis</subfield>
  </datafield>
  <datafield tag="245" ind1=" " ind2=" ">
    <subfield code="a">Jaqpot 5: How to simulate biodistribution scenarios using custom PBPK models</subfield>
  </datafield>
  <datafield tag="980" ind1=" " ind2=" ">
    <subfield code="a">user-nanocommons</subfield>
  </datafield>
  <datafield tag="536" ind1=" " ind2=" ">
    <subfield code="c">731032</subfield>
    <subfield code="a">The European Nanotechnology Community Informatics Platform: Bridging data and disciplinary gaps for industry and regulators (NanoCommons)</subfield>
  </datafield>
  <datafield tag="536" ind1=" " ind2=" ">
    <subfield code="c">731075</subfield>
    <subfield code="a">OpenRiskNet: Open e-Infrastructure to Support Data Sharing, Knowledge Integration and in silico Analysis and Modelling in Risk Assessment</subfield>
  </datafield>
  <datafield tag="540" ind1=" " ind2=" ">
    <subfield code="u">https://creativecommons.org/licenses/by/4.0/legalcode</subfield>
    <subfield code="a">Creative Commons Attribution 4.0 International</subfield>
  </datafield>
  <datafield tag="650" ind1="1" ind2="7">
    <subfield code="a">cc-by</subfield>
    <subfield code="2">opendefinition.org</subfield>
  </datafield>
  <datafield tag="520" ind1=" " ind2=" ">
    <subfield code="a">&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;</subfield>
  </datafield>
  <datafield tag="773" ind1=" " ind2=" ">
    <subfield code="n">doi</subfield>
    <subfield code="i">isVersionOf</subfield>
    <subfield code="a">10.5281/zenodo.3610181</subfield>
  </datafield>
  <datafield tag="024" ind1=" " ind2=" ">
    <subfield code="a">10.5281/zenodo.3610182</subfield>
    <subfield code="2">doi</subfield>
  </datafield>
  <datafield tag="980" ind1=" " ind2=" ">
    <subfield code="a">publication</subfield>
    <subfield code="b">softwaredocumentation</subfield>
  </datafield>
</record>
174
112
views
downloads
All versions This version
Views 174174
Downloads 112112
Data volume 143.2 MB143.2 MB
Unique views 167167
Unique downloads 111111

Share

Cite as