Prediction of partition coefficient and toxicity for benzaldehyde compounds by their capacity factors and various molecular descriptors

Chemosphere

Volumn 42, Issue 8, 2001, Pages 899-907

  Dai, Jiayin ^a   Jin, Lijun ^b   Yao, Shuchun ^c   Wang, Liansheng ^c  

^a TONGJI UNIVERSITY   (China)

^b University of California   (United States)

^c NANJING UNIVERSITY   (China)

Author keywords

Capacity factors; QSAR; Quantum chemical parameters; Substituted benzaldehyde

Indexed keywords

BENZALDEHYDE DERIVATIVE;

TOXICITY;

ARTICLE; CHROMATOGRAPHY; DAPHNIA; HYDROPHOBICITY; INTOXICATION; NONHUMAN; PARTITION COEFFICIENT; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM CHEMISTRY; REVERSED PHASE HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; SOLVATION; TOXICITY;

BENZALDEHYDES; FORECASTING; MODELS, THEORETICAL; QUANTUM THEORY; STRUCTURE-ACTIVITY RELATIONSHIP; XENOBIOTICS;

DAPHNIA MAGNA;

EID: 0035126733     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0045-6535(00)00181-8     Document Type: Article

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