Poster Open Access

3-D-eChem VM: Cheminformatics Research Infrastructure in a Downloadable Virtual Machine

Verhoeven, Stefan; Vass, Marton; de Esch, Iwan; Leurs, Rob; Lusher, Scott; Vriend, Gerrrit; Ritschel, Tina; de Graaf, Chris; McGuire, Ross


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:cnt="http://www.w3.org/2011/content#" 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.47208">
    <rdf:type rdf:resource="http://www.w3.org/ns/dcat#Dataset"/>
    <dct:type rdf:resource="http://purl.org/dc/dcmitype/Text"/>
    <dct:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://doi.org/10.5281/zenodo.47208</dct:identifier>
    <foaf:page rdf:resource="https://doi.org/10.5281/zenodo.47208"/>
    <dct:creator>
      <rdf:Description>
        <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/>
        <foaf:name>Verhoeven, Stefan</foaf:name>
        <foaf:givenName>Stefan</foaf:givenName>
        <foaf:familyName>Verhoeven</foaf:familyName>
        <org:memberOf>
          <foaf:Organization>
            <foaf:name>Netherlands eScience Center</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>Vass, Marton</foaf:name>
        <foaf:givenName>Marton</foaf:givenName>
        <foaf:familyName>Vass</foaf:familyName>
        <org:memberOf>
          <foaf:Organization>
            <foaf:name>Vrije Universiteit Amsterdam</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>de Esch, Iwan</foaf:name>
        <foaf:givenName>Iwan</foaf:givenName>
        <foaf:familyName>de Esch</foaf:familyName>
        <org:memberOf>
          <foaf:Organization>
            <foaf:name>Vrije Universiteit Amsterdam</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>Leurs, Rob</foaf:name>
        <foaf:givenName>Rob</foaf:givenName>
        <foaf:familyName>Leurs</foaf:familyName>
        <org:memberOf>
          <foaf:Organization>
            <foaf:name>Vrije Universiteit Amsterdam</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>Lusher, Scott</foaf:name>
        <foaf:givenName>Scott</foaf:givenName>
        <foaf:familyName>Lusher</foaf:familyName>
        <org:memberOf>
          <foaf:Organization>
            <foaf:name>Netherlands eScience Center</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>Vriend, Gerrrit</foaf:name>
        <foaf:givenName>Gerrrit</foaf:givenName>
        <foaf:familyName>Vriend</foaf:familyName>
        <org:memberOf>
          <foaf:Organization>
            <foaf:name>Radboud University Medical Center, Nijmegen</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>Ritschel, Tina</foaf:name>
        <foaf:givenName>Tina</foaf:givenName>
        <foaf:familyName>Ritschel</foaf:familyName>
        <org:memberOf>
          <foaf:Organization>
            <foaf:name>Radboud University Medical Center, Nijmegen</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>de Graaf, Chris</foaf:name>
        <foaf:givenName>Chris</foaf:givenName>
        <foaf:familyName>de Graaf</foaf:familyName>
        <org:memberOf>
          <foaf:Organization>
            <foaf:name>Vrije Universiteit Amsterdam</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>McGuire, Ross</foaf:name>
        <foaf:givenName>Ross</foaf:givenName>
        <foaf:familyName>McGuire</foaf:familyName>
        <org:memberOf>
          <foaf:Organization>
            <foaf:name>Radboud University Medical Center, Nijmegen; BioAxis Research BV, Oss</foaf:name>
          </foaf:Organization>
        </org:memberOf>
      </rdf:Description>
    </dct:creator>
    <dct:title>3-D-eChem VM: Cheminformatics Research Infrastructure in a Downloadable Virtual Machine</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">2016</dct:issued>
    <dcat:keyword>Cheminformatics</dcat:keyword>
    <dcat:keyword>KNIME</dcat:keyword>
    <dcat:keyword>GPCR</dcat:keyword>
    <dcat:keyword>KRIPO</dcat:keyword>
    <dcat:keyword>Pharmacophore</dcat:keyword>
    <dcat:keyword>Fingerprints</dcat:keyword>
    <dct:issued rdf:datatype="http://www.w3.org/2001/XMLSchema#date">2016-02-24</dct:issued>
    <owl:sameAs rdf:resource="https://zenodo.org/record/47208"/>
    <adms:identifier>
      <adms:Identifier>
        <skos:notation rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://zenodo.org/record/47208</skos:notation>
      </adms:Identifier>
    </adms:identifier>
    <dct:description>&lt;p&gt;3D-e-Chem VM is a freely available Virtual Machine (VM) encompassing tools, databases &amp;amp; workflows, including new resources developed for ligand binding site comparisons and GPCR research. The VM contains a fully functional cheminformatics infrastructure consisting of a chemistry enabled relational database system (PostgreSQL + RDKit) with a data analytics workflow tool (KNIME) and additional cheminformatics capabilities. Tools, workflows and reference data sets are made available. The wide range of cheminformatics functionalities are provided in the downloadable 3D-e-Chem VM allowing immediate use in research and education.&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="http://creativecommons.org/licenses/by/4.0/legalcode"/>
        <dcat:accessURL rdf:resource="https://doi.org/10.5281/zenodo.47208"/>
      </dcat:Distribution>
    </dcat:distribution>
  </rdf:Description>
</rdf:RDF>
101
29
views
downloads
All versions This version
Views 101101
Downloads 2929
Data volume 41.3 MB41.3 MB
Unique views 101101
Unique downloads 2626

Share

Cite as