Partial order ranking-based QSAR's: Estimation of solubilities and octanol-water partitioning

Chemosphere

Volumn 43, Issue 3, 2001, Pages 295-302

  Carlsen, Lars ^a   Sorensen, Peter B ^a   Thomsen, Marianne ^a  

^a NATIONAL ENVIRONMENTAL RESEARCH INSTITUTE   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

ENVIRONMENTAL CHEMICAL; OCTANOL; ORGANIC COMPOUND; WATER;

ACCURACY; ARTICLE; ORGANIC CHEMISTRY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SOLUBILITY; STATISTICAL ANALYSIS;

FORECASTING; MODELS, THEORETICAL; OCTANOLS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REGRESSION ANALYSIS; SOLUBILITY; WATER;

EID: 0035084533     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0045-6535(00)00156-9     Document Type: Article

References (12)

1. Application of the concept of partial order on comparative evaluation of environmental chemicals
2. Linear Solvation Energy Relationships (LSER)
3. Important differences between aqueous solubility relationships for aliphatic and aromatic solutes
4. An improved equation for correlation and prediction of octanol/water partition coefficients of organic nonelectrolytes (including strong hydrogen bond donor solutes)
5. The influence on partial order ranking from input parameter uncertainty
6. Compound data analysis of monotoring data of pesticides in surface waters
7. Solubility of phthalates revisited. Environmental implications