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External validation of EPIWIN biodegradation models.

R Posthumus·T P Traas·W J G M Peijnenburg·E M Hulzebos
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Abstract

The BIOWIN biodegradation models were evaluated for their suitability for regulatory purposes. BIOWIN includes the linear and non-linear BIODEG and MITI models for estimating the probability of rapid aerobic biodegradation and an expert survey model for primary and ultimate biodegradation estimation. Experimental biodegradation data for 110 newly notified substances were compared with the estimations of the different models. The models were applied separately and in combinations to determine which model(s) showed the best performance. The results of this study were compared with the results of other validation studies and other biodegradation models. The BIOWIN models predict not-readily biodegradable substances with high accuracy in contrast to ready biodegradability. In view of the high environmental concern of persistent chemicals and in view of the large number of not-readily biodegradable chemicals compared to the readily ones, a model is preferred that gives a minimum of false positives without a corresponding high percentage false negatives. A combination of the BIOWIN models (BIOWIN2 or BIOWIN6) showed the highest predictive value for not-readily biodegradability. However, the highest score for overall predictivity with lowest percentage false predictions was achieved by applying BIOWIN3 (pass level 2.75) and BIOWIN6.

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Biodegradation, EnvironmentalModels, TheoreticalNetherlandsQuantitative Structure-Activity RelationshipRegression AnalysisReproducibility of ResultsRisk AssessmentXenobioticsJournal Article

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R Posthumus, T P Traas, W J G M Peijnenburg, E M Hulzebos. External validation of EPIWIN biodegradation models.. https://doi.org/10.1080/10629360412331319899

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