MetPred

MetPred predicts site-of-metabolism using a data mining approach based on Reaction SMARTS to define reaction types.

For developers
For end-users
Type:
Trained model, Service
API Type:
REST under OpenAPI2 specification, REST, OpenAPI
Categories:
API Definitions for OpenRiskNet applications and data
Applicability domain:
Computational modelling
Topic:
Risk assessment, Information extraction
Targeted industry:
Chemicals
Targeted users:
Researchers, Risk assessors
Relevant OpenRiskNet case study:
MetaP - Metabolism Prediction

Provided by:
Uppsala University
Login required:
No
Implementation status:
Available as web service, Application programming interface available, API documentation available (Swagger-OpenAPI v2), Containerised, Graphical user interface available
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, bio.tools and TeSS (ELIXIR).
Provides legal and ethical statements on how the service can be used.