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


DCAT Export

<?xml version='1.0' encoding='utf-8'?>
<rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:adms="http://www.w3.org/ns/adms#" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:dct="http://purl.org/dc/terms/" xmlns:dctype="http://purl.org/dc/dcmitype/" xmlns:dcat="http://www.w3.org/ns/dcat#" xmlns:duv="http://www.w3.org/ns/duv#" xmlns:foaf="http://xmlns.com/foaf/0.1/" xmlns:frapo="http://purl.org/cerif/frapo/" xmlns:geo="http://www.w3.org/2003/01/geo/wgs84_pos#" xmlns:gsp="http://www.opengis.net/ont/geosparql#" xmlns:locn="http://www.w3.org/ns/locn#" xmlns:org="http://www.w3.org/ns/org#" xmlns:owl="http://www.w3.org/2002/07/owl#" xmlns:prov="http://www.w3.org/ns/prov#" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:schema="http://schema.org/" xmlns:skos="http://www.w3.org/2004/02/skos/core#" xmlns:vcard="http://www.w3.org/2006/vcard/ns#" xmlns:wdrs="http://www.w3.org/2007/05/powder-s#">
  <rdf:Description rdf:about="https://doi.org/10.5281/zenodo.1286304">
    <rdf:type rdf:resource="http://www.w3.org/ns/dcat#Dataset"/>
    <dct:type rdf:resource="http://purl.org/dc/dcmitype/Dataset"/>
    <dct:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://doi.org/10.5281/zenodo.1286304</dct:identifier>
    <foaf:page rdf:resource="https://doi.org/10.5281/zenodo.1286304"/>
    <dct:creator>
      <rdf:Description rdf:about="http://orcid.org/0000-0001-6740-9212">
        <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/>
        <dct:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string">0000-0001-6740-9212</dct:identifier>
        <foaf:name>Lampa, Samuel</foaf:name>
        <foaf:givenName>Samuel</foaf:givenName>
        <foaf:familyName>Lampa</foaf:familyName>
        <org:memberOf>
          <foaf:Organization>
            <foaf:name>Pharmaceutical Bioinformatics group, Department of Pharmaceutical Biosciences, Uppsala University, Uppsala, Sweden</foaf:name>
          </foaf:Organization>
        </org:memberOf>
      </rdf:Description>
    </dct:creator>
    <dct:creator>
      <rdf:Description rdf:about="http://orcid.org/0000-0002-8682-7206">
        <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/>
        <dct:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string">0000-0002-8682-7206</dct:identifier>
        <foaf:name>Alvarsson, Jonathan</foaf:name>
        <foaf:givenName>Jonathan</foaf:givenName>
        <foaf:familyName>Alvarsson</foaf:familyName>
        <org:memberOf>
          <foaf:Organization>
            <foaf:name>Pharmaceutical Bioinformatics group, Department of Pharmaceutical Biosciences, Uppsala University, Uppsala, Sweden</foaf:name>
          </foaf:Organization>
        </org:memberOf>
      </rdf:Description>
    </dct:creator>
    <dct:creator>
      <rdf:Description rdf:about="http://orcid.org/0000-0001-6709-7116">
        <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/>
        <dct:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string">0000-0001-6709-7116</dct:identifier>
        <foaf:name>Arvidsson Mc Shane, Staffan</foaf:name>
        <foaf:givenName>Staffan</foaf:givenName>
        <foaf:familyName>Arvidsson Mc Shane</foaf:familyName>
        <org:memberOf>
          <foaf:Organization>
            <foaf:name>Pharmaceutical Bioinformatics group, Department of Pharmaceutical Biosciences, Uppsala University, Uppsala, Sweden</foaf:name>
          </foaf:Organization>
        </org:memberOf>
      </rdf:Description>
    </dct:creator>
    <dct:creator>
      <rdf:Description>
        <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/>
        <foaf:name>Berg, Arvid</foaf:name>
        <foaf:givenName>Arvid</foaf:givenName>
        <foaf:familyName>Berg</foaf:familyName>
        <org:memberOf>
          <foaf:Organization>
            <foaf:name>Pharmaceutical Bioinformatics group, Department of Pharmaceutical Biosciences, Uppsala University, Uppsala, Sweden</foaf:name>
          </foaf:Organization>
        </org:memberOf>
      </rdf:Description>
    </dct:creator>
    <dct:creator>
      <rdf:Description>
        <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/>
        <foaf:name>Ahlberg, Ernst</foaf:name>
        <foaf:givenName>Ernst</foaf:givenName>
        <foaf:familyName>Ahlberg</foaf:familyName>
        <org:memberOf>
          <foaf:Organization>
            <foaf:name>Predictive Compound ADME &amp; Safety, Drug Safety &amp; Metabolism, AstraZeneca IMED Biotech Unit, Mölndal, Sweden</foaf:name>
          </foaf:Organization>
        </org:memberOf>
      </rdf:Description>
    </dct:creator>
    <dct:creator>
      <rdf:Description rdf:about="http://orcid.org/0000-0002-8083-2864">
        <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/>
        <dct:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string">0000-0002-8083-2864</dct:identifier>
        <foaf:name>Spjuth, Ola</foaf:name>
        <foaf:givenName>Ola</foaf:givenName>
        <foaf:familyName>Spjuth</foaf:familyName>
        <org:memberOf>
          <foaf:Organization>
            <foaf:name>Pharmaceutical Bioinformatics group, Department of Pharmaceutical Biosciences, Uppsala University, Uppsala, Sweden</foaf:name>
          </foaf:Organization>
        </org:memberOf>
      </rdf:Description>
    </dct:creator>
    <dct:title>Predictive models for off-target binding profiles generation</dct:title>
    <dct:publisher>
      <foaf:Agent>
        <foaf:name>Zenodo</foaf:name>
      </foaf:Agent>
    </dct:publisher>
    <dct:issued rdf:datatype="http://www.w3.org/2001/XMLSchema#gYear">2018</dct:issued>
    <dcat:keyword>Conformal Prediction</dcat:keyword>
    <dcat:keyword>Off-target Pharmacology</dcat:keyword>
    <dcat:keyword>LibLinear</dcat:keyword>
    <dcat:keyword>ADMET</dcat:keyword>
    <dcat:keyword>Toxicity</dcat:keyword>
    <dcat:keyword>Toxicology</dcat:keyword>
    <frapo:isFundedBy rdf:resource="info:eu-repo/grantAgreement/EC/H2020/731075/"/>
    <schema:funder>
      <foaf:Organization>
        <dct:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string">10.13039/501100000780</dct:identifier>
        <foaf:name>European Commission</foaf:name>
      </foaf:Organization>
    </schema:funder>
    <dct:issued rdf:datatype="http://www.w3.org/2001/XMLSchema#date">2018-06-09</dct:issued>
    <owl:sameAs rdf:resource="https://zenodo.org/record/1286304"/>
    <adms:identifier>
      <adms:Identifier>
        <skos:notation rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://zenodo.org/record/1286304</skos:notation>
        <adms:schemeAgency>url</adms:schemeAgency>
      </adms:Identifier>
    </adms:identifier>
    <dct:isVersionOf rdf:resource="https://doi.org/10.5281/zenodo.1286303"/>
    <owl:versionInfo>0.9</owl:versionInfo>
    <dct:description>&lt;p&gt;Models for predicting off-target binding, built with Conformal Prediction, and the &lt;a href="http://cpsign-docs.genettasoft.com"&gt;CPSign software&lt;/a&gt;. The dataset is part of an upcoming publication (Manuscript in preparation), which will provide more details.&lt;/p&gt; &lt;p&gt;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 &amp;quot;.audit.json&amp;quot;, produced by the workflow software (&lt;a href="http://scipipe.org"&gt;SciPipe&lt;/a&gt;) used to train the models. This audit file contains all the shell commands used in the workflow that produced the models.&lt;/p&gt;</dct:description>
    <dct:accessRights rdf:resource="http://publications.europa.eu/resource/authority/access-right/PUBLIC"/>
    <dct:accessRights>
      <dct:RightsStatement rdf:about="info:eu-repo/semantics/openAccess">
        <rdfs:label>Open Access</rdfs:label>
      </dct:RightsStatement>
    </dct:accessRights>
    <dcat:distribution>
      <dcat:Distribution>
        <dct:license rdf:resource="https://creativecommons.org/licenses/by/4.0/legalcode"/>
        <dcat:accessURL rdf:resource="https://doi.org/10.5281/zenodo.1286304"/>
      </dcat:Distribution>
    </dcat:distribution>
    <dcat:distribution>
      <dcat:Distribution>
        <dcat:accessURL>https://doi.org/10.5281/zenodo.1286304</dcat:accessURL>
        <dcat:byteSize>83389670</dcat:byteSize>
        <dcat:downloadURL>https://zenodo.org/record/1286304/files/ptp_models_20180610.tar.gz</dcat:downloadURL>
        <dcat:mediaType>application/x-tar</dcat:mediaType>
      </dcat:Distribution>
    </dcat:distribution>
  </rdf:Description>
  <foaf:Project rdf:about="info:eu-repo/grantAgreement/EC/H2020/731075/">
    <dct:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string">731075</dct:identifier>
    <dct:title>OpenRiskNet: Open e-Infrastructure to Support Data Sharing, Knowledge Integration and in silico Analysis and Modelling in Risk Assessment</dct:title>
    <frapo:isAwardedBy>
      <foaf:Organization>
        <dct:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string">10.13039/501100000780</dct:identifier>
        <foaf:name>European Commission</foaf:name>
      </foaf:Organization>
    </frapo:isAwardedBy>
  </foaf:Project>
</rdf:RDF>
85
9
views
downloads
All versions This version
Views 8585
Downloads 99
Data volume 750.5 MB750.5 MB
Unique views 8383
Unique downloads 99

Share

Cite as