Using Biowin super(TM), Bayes, and Batteries to Predict Ready Biodegradability

Biowin3, the survey ultimate biodegradation model, Biowin5, the Ministry of International Trade and Industry (MITI) linear model, and Biowin6, the MITI nonlinear model, were used to predict the biodegradability of premanufacture notice substances and a set of pharmaceuticals. The test battery approa...

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Bibliographic Details
Published in:Environmental toxicology and chemistry 2004-04, Vol.23 (4), p.911-911
Main Authors: Boethling, Robert S, Lynch, David G, Jaworska, Joanna S, Tunkel, Jay L, Thom, Gary C, Webb, Simon
Format: Article
Language:English
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Summary:Biowin3, the survey ultimate biodegradation model, Biowin5, the Ministry of International Trade and Industry (MITI) linear model, and Biowin6, the MITI nonlinear model, were used to predict the biodegradability of premanufacture notice substances and a set of pharmaceuticals. The test battery approaches were explored by applying Bayes' theorem to calculate joint posterior probabilities of readily biodegradable/non-readily biodegradable. Performance statistics were calculated for the model being considered and then combined with prior probability in Bayes' formula to generate posterior probabilities. Results showed that the Biowin models provided good accuracy in predicting ready biodegradability. Two-model batteries consisting of Biowin3 and Biowin5 or 6 exhibited enhanced predictive power compared to the individual models.
ISSN:0730-7268