Conformation-independent quantitative structure-property relationships study on water solubility of pesticides

Water solubility is a key physicochemical parameter in pesticide control and regulation, although sometimes its experimental determination is not an easy task. In this study, we present Quantitative Structure-Property Relationships (QSPRs) for predicting the water solubility at 20 °C of 1211 approve...

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Detalles Bibliográficos
Autores principales:	Fioressi, S.E., Bacelo, D.E., Rojas, C., Aranda, J.F., Duchowicz, P.R.
Formato:	JOUR
Materias:	CORAL software Molecular descriptors Pesticides Quantitative structure-property relationships Water solubility pesticide water molecular analysis pesticide residue physicochemical property quantitative analysis regression analysis software solubility Article chemical structure conformation multiple linear regression analysis quantitative structure property relation chemistry quantitative structure activity relation statistical model Linear Models Molecular Conformation Quantitative Structure-Activity Relationship Solubility Water
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_01476513_v171_n_p47_Fioressi
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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