Mekapati Suresh Babu, Hansch Corwin
Department of Chemistry, Pomona College, Claremont, California 91711, USA.
J Chem Inf Comput Sci. 2002 Jul-Aug;42(4):956-61. doi: 10.1021/ci010250e.
In this report we illustrate the importance of making an effort to ensure that all of the dependent variables in a QSAR are associated with one mechanism of action. If this cannot be established, it will not be possible to compare the QSAR with others acting on different biological systems. That is, such information cannot be used to develop a science of chemical-biological interactions. A study of the action of a large set of phenols acting on Tetrahymena pyriformis made by Cronin and Schultz is analyzed to illustrate the problem.
在本报告中,我们阐述了努力确保定量构效关系(QSAR)中的所有因变量都与一种作用机制相关联的重要性。如果无法确定这一点,就不可能将该定量构效关系与作用于不同生物系统的其他关系进行比较。也就是说,此类信息无法用于发展化学生物相互作用的科学。分析了克罗宁(Cronin)和舒尔茨(Schultz)对大量酚类物质作用于梨形四膜虫的作用研究,以说明该问题。