CVAP Blood Brain Barrier Penetration Classification

A Venn-ABERS model built by CPSign for predicting molecules
Classification model that models Blood brain barrier penetration using the statistical approach Venn-ABERS

For end-users
Trained model, Model
API Type:
REST under OAS3 specification, OAS3, REST, OpenAPI
Toxicology, chemical properties and bioassay databases, API Definitions for OpenRiskNet applications and data, Predictive toxicology
Applicability domain:
Predictive toxicology
Biological area:
Blood brain barrier
Relevant OpenRiskNet case study:
ModelRX - Modelling for Prediction or Read Across

Provided by:
Uppsala University
Login required:
Implementation status:
Containerised, Graphical user interface available, OAS v3, Available as web service
Integration status:
Integrated application
Service integration operations completed:
Utilises the OpenRiskNet APIs to ensure that each service is accessible to our proposed interoperability layer.
Is annotated according to the semantic interoperability layer concept using defined ontologies.
Is containerised for easy deployment in virtual environments of OpenRiskNet instances.
Has documented scientific and technical background.
Is deployed into the OpenRiskNet reference environment.
Is listed in the OpenRiskNet discovery services.
Is listed in other central repositories like eInfraCentral, and TeSS (ELIXIR).
Provides legal and ethical statements on how the service can be used.