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

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

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  "publisher": "Zenodo", 
  "DOI": "10.5281/zenodo.3603066", 
  "language": "eng", 
  "title": "D5.4 - First predictive nanoQSAR models integrated into NanoCommons KnowledgeBase", 
  "issued": {
    "date-parts": [
  "abstract": "<p>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.</p>", 
  "author": [
      "family": "Sarimveis, Haralambos"
      "family": "Doganis, Philip"
      "family": "Karatzas, Pantelis"
      "family": "Varsou, Dimitra-Danai"
      "family": "Afantitis, Antreas"
  "type": "report", 
  "id": "3603066"
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