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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