A combined QSAR and partial order ranking approach to risk assessment.
SAR QSAR Environ Res
; 17(2): 133-46, 2006 Apr.
Article
en En
| MEDLINE
| ID: mdl-16644554
QSAR generated data appear as an attractive alternative to experimental data as foreseen in the proposed new chemicals legislation REACH. A preliminary risk assessment for the aquatic environment can be based on few factors, i.e. the octanol-water partition coefficient (Kow), the vapour pressure (VP) and the potential biodegradability of the compound in combination with the predicted no-effect concentration (PNEC) and the actual tonnage in which the substance is produced. Application of partial order ranking, allowing simultaneous inclusion of several parameters leads to a mutual prioritisation of the investigated substances, the prioritisation possibly being further analysed through the concept of linear extensions and average ranks. The ranking uses endpoint values (log Kow and log VP) derived from strictly linear 'noise-deficient' QSAR models as input parameters. Biodegradation estimates were adopted from the BioWin module of the EPI Suite. The population growth impairment of Tetrahymena pyriformis was used as a surrogate for fish lethality.
Buscar en Google
Colección:
01-internacional
Base de datos:
MEDLINE
Asunto principal:
Tetrahymena pyriformis
/
Contaminantes del Agua
/
Relación Estructura-Actividad Cuantitativa
/
Compuestos de Anilina
Tipo de estudio:
Etiology_studies
/
Prognostic_studies
/
Risk_factors_studies
Límite:
Animals
Idioma:
En
Revista:
SAR QSAR Environ Res
Asunto de la revista:
SAUDE AMBIENTAL
Año:
2006
Tipo del documento:
Article
País de afiliación:
Dinamarca
Pais de publicación:
Reino Unido