VEGA HUB

VEGA HUB provides in silico predictive models for chemical hazard evaluation, focusing on genotoxicity prediction for the in vitro micronucleus assay.

Key Features:

• In Silico Genotoxicity Prediction: Implements computational models that predict outcomes of the in vitro micronucleus assay for genotoxicity assessment.
• Statistical and Knowledge-Based Models: Includes both statistical approaches and knowledge-based frameworks, with models built from fragments extracted via SARpy.
• SARpy-Derived Structural Alerts: Utilizes fragments extracted with SARpy and incorporates over 100 structural alerts representing genotoxic and non-genotoxic activities.
• High Predictive Performance: The SARpy-derived model is reported to exhibit high accuracy and a low false negative rate for initial chemical screening.
• Integration with VEGA Platform Tools: Models are integrated within the VEGA platform and associated modules ToxRead, ToxWeight, ToxDelta, and JANUS.

Scientific Applications:

• Regulatory Genotoxicity Assessment: Supports prediction of micronucleus assay outcomes for regulatory decision-making in sectors such as cosmetics and food.
• Chemical Prioritization and Screening: Enables prioritization of large chemical libraries for follow-up testing based on predicted genotoxic potential.
• Alternatives to Experimental Testing: Provides in silico predictions to reduce reliance on laboratory micronucleus assays during early screening phases.

Methodology:

Extraction and analysis of structural alerts using SARpy, development of statistical and knowledge-based models, and incorporation of over 100 structural alerts to predict in vitro micronucleus assay outcomes.