Quantitative biodegradability-structure relationships (QBSR) are tools for estimating pesticide half-lives in soil. This work presents design and application of QBSR models aimed at enhancing pesticide discovery process. The model design relies on several prerequisites: pesticide degradation data collected on multiple soil sources and extensive data curation, as well as outlier analysis, robust predictor selection, proper control of model complexity, validation of model generalization performance, and enforcement of applicability domain constrains. A relationship between the discovery grade models and their regulatory counterparts is discussed.

Pesticide quantitative biodegradability-structure relationships

255th National Meeting (2018)

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