MetPred predicts site-of-metabolism using a data mining approach based on Reaction SMARTS to define reaction types.
Trained model, Service
REST under OpenAPI2 specification, REST, OpenAPI
API Definitions for OpenRiskNet applications and data
Risk assessment, Information extraction
Researchers, Risk assessors
Relevant OpenRiskNet case study:
MetaP - Metabolism Prediction
Available as web service, Application programming interface available, API documentation available (Swagger-OpenAPI v2), Containerised, Graphical user interface available
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, bio.tools and TeSS (ELIXIR).
Provides legal and ethical statements on how the service can be used.