Project deliverable Open Access

D5.4 - First predictive nanoQSAR models integrated into NanoCommons KnowledgeBase

Sarimveis, Haralambos; Doganis, Philip; Karatzas, Pantelis; Varsou, Dimitra-Danai; Afantitis, Antreas


DataCite XML Export

<?xml version='1.0' encoding='utf-8'?>
<resource xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns="http://datacite.org/schema/kernel-4" xsi:schemaLocation="http://datacite.org/schema/kernel-4 http://schema.datacite.org/meta/kernel-4.1/metadata.xsd">
  <identifier identifierType="DOI">10.5281/zenodo.3603066</identifier>
  <creators>
    <creator>
      <creatorName>Sarimveis, Haralambos</creatorName>
      <givenName>Haralambos</givenName>
      <familyName>Sarimveis</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-8607-9965</nameIdentifier>
      <affiliation>National Technical University of Athens</affiliation>
    </creator>
    <creator>
      <creatorName>Doganis, Philip</creatorName>
      <givenName>Philip</givenName>
      <familyName>Doganis</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-0628-8434</nameIdentifier>
      <affiliation>National Technical University of Athens</affiliation>
    </creator>
    <creator>
      <creatorName>Karatzas, Pantelis</creatorName>
      <givenName>Pantelis</givenName>
      <familyName>Karatzas</familyName>
      <affiliation>National Technical University of Athens</affiliation>
    </creator>
    <creator>
      <creatorName>Varsou, Dimitra-Danai</creatorName>
      <givenName>Dimitra-Danai</givenName>
      <familyName>Varsou</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-7474-7014</nameIdentifier>
      <affiliation>NovaMechanics Ltd.</affiliation>
    </creator>
    <creator>
      <creatorName>Afantitis, Antreas</creatorName>
      <givenName>Antreas</givenName>
      <familyName>Afantitis</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-0977-8180</nameIdentifier>
      <affiliation>NovaMechanics Ltd.</affiliation>
    </creator>
  </creators>
  <titles>
    <title>D5.4 - First predictive nanoQSAR models integrated into NanoCommons KnowledgeBase</title>
  </titles>
  <publisher>Zenodo</publisher>
  <publicationYear>2020</publicationYear>
  <subjects>
    <subject>H2020</subject>
    <subject>NanoCommons</subject>
    <subject>Nano QSAR</subject>
    <subject>Knowledge base</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2020-01-09</date>
  </dates>
  <language>en</language>
  <resourceType resourceTypeGeneral="Text">Project deliverable</resourceType>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://zenodo.org/record/3603066</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.5281/zenodo.3603065</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://zenodo.org/communities/nanocommons</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://zenodo.org/communities/nsc</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="https://creativecommons.org/licenses/by/4.0/legalcode">Creative Commons Attribution 4.0 International</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;This Deliverable report (D5.4) presents the services that have been developed and are available through the NanoCommons infrastructure for generating and validating nano-specific quantitative Structure-Activity Relationships (nanoQSAR) models and applying the models for predicting nanomaterial (NM) end-points for new materials that have not been tested experimentally. We offer two levels of modelling services: (i) Algorithm as a Service (AaaS) which provides the technical tools to model developers for creating nanoQSAR models and deploying them in the NanoCommons Knowledge Base, or (ii) Model as a Service (MaaS) which provides ready-to-use web implementations of nanoQSAR models, that can be used by the community to validate the models or calculate end-point predictions for other NMs as long as these are within the Domain of Applicability (DoA) of the model.&lt;/p&gt;</description>
  </descriptions>
  <fundingReferences>
    <fundingReference>
      <funderName>European Commission</funderName>
      <funderIdentifier funderIdentifierType="Crossref Funder ID">10.13039/501100000780</funderIdentifier>
      <awardNumber awardURI="info:eu-repo/grantAgreement/EC/H2020/731032/">731032</awardNumber>
      <awardTitle>The European Nanotechnology Community Informatics Platform: Bridging data and disciplinary gaps for industry and regulators (NanoCommons)</awardTitle>
    </fundingReference>
  </fundingReferences>
</resource>
76
82
views
downloads
All versions This version
Views 7676
Downloads 8282
Data volume 558.0 MB558.0 MB
Unique views 7373
Unique downloads 8080

Share

Cite as