Published January 9, 2020 | Version v1
Project deliverable Open

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

  • 1. National Technical University of Athens
  • 2. NovaMechanics Ltd.

Description

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.

Files

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

Additional details

Funding

NanoCommons – The European Nanotechnology Community Informatics Platform: Bridging data and disciplinary gaps for industry and regulators (NanoCommons) 731032
European Commission