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Keywords: Molecular descriptors
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Journal Articles
Management of Environmental Quality: An International Journal (2017) 28 (4): 579–592.
Published: 12 June 2017
... compounds. For this purpose, the relationship between molecular descriptors (Todeshini et al., 2006) connected to the factors found, experimentally, as affecting the Kow of the compounds. The QSPR model was constructed using the multiple linear regression (MLR), and support...
Journal Articles
Management of Environmental Quality: An International Journal (2016) 27 (3): 313–325.
Published: 11 April 2016
... the dispersion of the predicted values. It is used to define Q2, and the standard deviation error in prediction (SDEP): (Equation 4) © Emerald Group Publishing Limited 2016 Hybrid GA/MLR model Molecular descriptors Pesticides or toxicants QSRR Retention times Recently...
