Poster Open Access
Verhoeven, Stefan; Vass, Marton; de Esch, Iwan; Leurs, Rob; Lusher, Scott; Vriend, Gerrrit; Ritschel, Tina; de Graaf, Chris; McGuire, Ross
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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:schemeAgency>url</adms:schemeAgency> </adms:Identifier> </adms:identifier> <dct:description><p>3D-e-Chem VM is a freely available Virtual Machine (VM) encompassing tools, databases &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.</p></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.47208"/> </dcat:Distribution> </dcat:distribution> <dcat:distribution> <dcat:Distribution> <dcat:accessURL rdf:resource="https://doi.org/10.5281/zenodo.47208"/> <dcat:byteSize>1425750</dcat:byteSize> <dcat:downloadURL rdf:resource="https://zenodo.org/record/47208/files/3dechemposter_KSS2016.pdf"/> <dcat:mediaType>application/pdf</dcat:mediaType> </dcat:Distribution> </dcat:distribution> </rdf:Description> </rdf:RDF>
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