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• W2000950374 abstract "A quantitative structure-property relationship model was developed using piecewise linear regression (with two submodels) to predict second-order rate constants with ozone for a wide range of structurally diverse micropollutants. The model was developed using a set of pre-selected structurally diverse micropollutants for which rate constants had been determined experimentally, and then validated with an external data set. A classification function was developed using linear discriminant analysis to classify micropollutants into high-reactive or low-reactive compounds before using the appropriate submodel. The applicability domain of the model was determined using the Williams plot." @default.
• W2000950374 created "2016-06-24" @default.
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• W2000950374 date "2014-06-25" @default.
• W2000950374 modified "2023-10-14" @default.
• W2000950374 title "Modeling Ozone Reaction Rate Constants of Micropollutants Using Quantitative Structure-Property Relationships" @default.
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• W2000950374 doi "https://doi.org/10.1080/01919512.2014.910444" @default.
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