Walker John D, Jaworska Joanna, Comber Mike H I, Schultz T Wayne, Dearden John C
TSCA Interagency Testing Committee, U.S. Environmental Protection Agency (7401M), Washington, DC 20460, USA.
Environ Toxicol Chem. 2003 Aug;22(8):1653-65. doi: 10.1897/01-627.
Numerous quantitative structure-activity relationships (QSARs) have been developed to predict properties, fate, and effects of mostly discrete organic chemicals. As the demand for different types of regulatory testing increases and the cost of experimental testing escalates, there is a need to evaluate the use of QSARs and provide some guidance to avoid their misuse, especially as QSARs are being considered for regulatory purposes. This paper provides some guidelines that will promote the proper development and use of QSARs. While this paper uses examples of QSARs to predict toxicity, the proposed guidelines are applicable to QSARs used to predict physical or chemical properties, environmental fate, ecological effects and health effects.
人们已经建立了许多定量构效关系（QSAR）来预测大多数离散有机化学品的性质、归宿和影响。随着对不同类型监管测试的需求增加以及实验测试成本的上升，有必要评估QSAR的使用情况并提供一些指导以避免其被滥用，特别是在考虑将QSAR用于监管目的时。本文提供了一些指导方针，将促进QSAR的正确开发和使用。虽然本文使用QSAR预测毒性的例子，但所提出的指导方针适用于用于预测物理或化学性质、环境归宿、生态影响和健康影响的QSAR。
