Nanoinformatics Tool for the Virtual Screening of Metal Oxide Nanoparticles via Enalos Platform

Virtual Screening Metal Oxide Nanoparticles Enalos Platform
A predictive classification model for the toxicological assessment of iron oxide NPs with different core, coating and surface modification based on a number of different properties including size, relaxivities, zeta potential and type of coating. The model is part of the Enalos infrastructure and is available from OpenRiskNet reference environment. The model gives the interested user the opportunity to insert the indicated properties and get a toxicity prediction accompanied by an indication of its reliability based on the domain of applicability.

For end-users
For developers
Application, Trained model, Model, Service
API Type:
API Definitions for OpenRiskNet applications and data, Predictive toxicology
Applicability domain:
Computational modelling, Toxicology, Predictive toxicology
Nano safety, Risk assessment, Structure-activity relationship (SAR / QSAR), Predictive modelling
Targeted industry:
Targeted users:
Risk assessors, Researchers, Students, Software Developers, Regulators
Relevant OpenRiskNet case study:
ModelRX - Modelling for Prediction or Read Across
Support contact:
References and training materials:

Melagraki Georgia; Afantitis Antreas A Risk Assessment Tool for the Virtual Screening of Metal Oxide Nanoparticles through Enalos InSilicoNano Platform Current Topics in Medicinal Chemistry, Volume 15, Number 18, September 2015, pp. 1827-1836(10) 2015

Provided by:
NovaMechanics Ltd
Login required:
Implementation status:
API documentation available (Swagger-OpenAPI v2), Application programming interface available
Technology readiness level:
TRL 7 – system prototype demonstration in operational environment
Integration status:
Integrated application