QSAR approach to POPs screening for atmospheric persistence

Chemosphere

Volumn 43, Issue 4-7, 2001, Pages 655-664

  Gramatica, P ^a   Consolaro, F ^a   Pozzi, S ^a  

^a UNIVERSITY OF INSUBRIA   (Italy)

Author keywords

Atmospheric half life; Long range transport; Molecular descriptors; Persistence; POP; Quantitative structure property relationships (QSPR)

Indexed keywords

ATMOSPHERIC MOVEMENTS; DEGRADATION; GENETIC ALGORITHMS; MOLECULAR STRUCTURE; ORGANIC CHEMICALS;

LONG-RANGE TRANSPORT (LRT);

ENVIRONMENTAL ENGINEERING;

ATMOSPHERIC POLLUTION; HALF LIFE; ORGANIC POLLUTANT; PERSISTENCE; PHYSICOCHEMICAL PROPERTY;

AIR MONITORING; AIR POLLUTION; ARTICLE; ECOSYSTEM; PRINCIPAL COMPONENT ANALYSIS; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

AIR MOVEMENTS; AIR POLLUTANTS; FORECASTING; HALF-LIFE; MODELS, THEORETICAL; ORGANIC CHEMICALS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0035038741     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0045-6535(00)00418-5     Document Type: Article

References (30)

1. Estimation of OH radical reaction rate constants and atmospheric lifetimes for polychlorobiphenyls, dibenzo-p-dioxins and dibenzofurans
2. Kinetics and mechanisms of the gas-phase reactions of the hydroxyl radical with organic compounds
3. Atmospheric lifetimes of dibenzo-p-dioxins and dibenzofurans
4. Assessing long-range transport potential of persistent organic pollutants
5. QSAR study of the tropospheric degradation of organic compounds
6. 3D-modelling and prediction by WHIM descriptors. Part 9. Chromatographic relative retention time and physicochemical properties of polychlorinated biphenyls PCBs
7. Study of the POP atmospheric mobility by QSAR approach
8. Physicochemical properties modeling for environmental pollutants: Classification by molecular descriptors of mobility potential
9. An index of electrotopological state for atoms in molecules
10. Evaluation of persistence and long-range transport of organic chemicals in the environment, summary of a setac pellston workshop
11. Genetic algorithms as a strategy for feature selection
12. Long-range transport potential of PCB and PCDD/F and their classification
13. Screening for persistent organic pollutants: Techniques to provide a scientific basis for POPs criteria in international negotiations
14. 3D-modelling and prediction by WHIM descriptors. Part 5. Theory development and chemical meaning of the WHIM descriptors
15. 3D-modelling and prediction by WHIM descriptors. Part 6. Applications of the WHIM descriptors in QSAR studies
16. The WHIM theory: New 3-D molecular descriptors for QSAR in environmental modelling
17. New 3D-molecular descriptors: The WHIM theory and QSAR applications
18. The K correlation index: Theory development and its application in chemometrics
19. Weighted holistic invariant molecular descriptors. Part 2. Theory development and applications on modeling physicochemical properties of poly aromatic hydrocarbons PAH
20. New molecular descriptors for 2D- and 3D-structures. Theory Part 1
21. Modelling and prediction by WHIM descriptors. Part 8. Toxicity and physicochemical properties of environmental priority chemicals by 2D-TI and 3D-WHIM descriptors
22. Modeling and prediction by using WHIM descriptors in QSAR studies: Toxicity of heterogeneous chemicals on Daphnia magna
23. Tracking the distribution of persistent organic pollutants