Journal of Pesticide Science · 2006 · 15 citations · 18 references
PharmacyMedicinal ChemistryPharmacologyDrug DesignDrug DiscoveryStructure-activity RelationshipsLigand-based DesignQuantitative Structure-activity RelationshipsStructure-activity Relationship AnalysisChemical SubstituentsElectron-withdrawing GroupsInsecticide ChemistryLog P OptimizationOvicidal ActivityPartition Coefficient AnalysisPhenyl Ring Substitution EffectsStructure - Activity Relationship Optimization
Ovicidal activity of 2,4-diphenyl-1,3-oxazoline congeners with various substituents on the 4-phenyl ring against two-spotted spider mites Tetranychus urticae was quantitatively analyzed using the classical QSAR (Hansch-Fujita) method. In QSAR analysis, hydrophobicity in terms of log P (P: partition coefficient between 1-octanol and water) was the most significant parameter with its square term. The optimum log P value for 2,4-diphenyl-1,3-oxazoline analogs was evaluated as about 7.1. The introduction of substituents with inductive electron-withdrawing properties was also favorable to activity, but the presence of substituents at the ortho- and meta-positions was not promising.
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van der Waals Volumes and Radii
A. Bondì · The Journal of Physical Chemistry · 1964 · 19.2K citations
Yoshiaki Nakagawa, Keiichiro Nishimura, Keiichi IZUMI et al. · Journal of Pesticide Science · 1996 · 47 citations · Full text