The Hydrocarbon Biodegradation System-integrated Model
The Hydrocarbon Biodegradation System-integrated Model (HC-BioSIM) is a quantitative structure property relationship (QSPR) model for estimating the degradation half-life (DT50) of petroleum hydrocarbons under varying test system and environmental conditions
The Hydrocarbon Biodegradation System-integrated Model
The Hydrocarbon Biodegradation System-Integrated Model (HC-BioSIM) is a quantitative structure–property relationship (QSPR) model developed by ExxonMobil Biomedical Sciences, Inc. in 2022 for aquatic systems and in 2024 for soil and sediment. The aquatic model is freely accessible through the OECD QSAR Toolbox, with support and funding from Concawe and ExxonMobil.
How the HC-BioSIM works
HC-BioSIM estimates primary biodegradation half-lives (DT₅₀) using a supervised model-tree machine-learning method (the Cubist decision-tree algorithm).
The model integrates:
- User-defined system parameters (temperature, loading, test-material viscosity, dispersant treat rate, aquatic test system)
- Structural descriptors from ToxPrint chemical fragments, generated with ChemoTyper v1.0
This combination allows HC-BioSIM to generate environmentally relevant DT₅₀ predictions across a wide range of realistic environmental scenarios.
Try HC-BioSIM
You can access and use the aquatic model in the OECD QSAR Toolbox or find the soil and sediment modules here on GitHub.
Applications
HC-BioSIM outputs can be used to support:
- Chemical hazard assessments (e.g., PBT, vPvB, PMT evaluations)
- Quantitative risk assessments
- Oil spill response planning
- Water quality modelling frameworks
Contact Us
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