nanoQSAR model for the prediction of the cellular uptake and the virtual screening of nanoparticles via Enalos Platform
Enalos Platform nanoinformatics nanoparticles
A validated predictive model for nanoparticles cellular uptake, that is part of the Enalos infrastructure deployed into the OpenRiskNet reference environment. The model can be used for the predictions of cellular uptake for new structures that are imported to the server via sdf format.
For end-users
For developers
Type:
Trained model, Model
API Type:
REST
Categories:
Predictive toxicology
Applicability domain:
Computational modelling, Toxicology, Predictive toxicology
Topic:
Nano safety, Risk assessment, Structure-activity relationship (SAR / QSAR), Predictive modelling
Targeted industry:
Nanotechnology
Targeted users:
Risk assessors, Researchers, Students, Software Developers, Data managers, Regulators
Relevant OpenRiskNet case study:
ModelRX - Modelling for Prediction or Read Across
Support contact:
Documentation:
References and training materials:
Georgia Melagraki, Antreas Afantitis, Enalos InSilicoNano Platform: An online decision support tool for the design and virtual screening of nanoparticles RSC Advances 2014, 4, 50713-50725 2014
Provided by:
NovaMechanics Ltd
Contact:
Login required:
No
Implementation status:
API documentation available (Swagger-OpenAPI v2), Available as web service, Application programming interface available
Technology readiness level:
TRL 7 – system prototype demonstration in operational environment
Integration status:
Integrated application