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研究了多元定量构效关系的化学计量学方法。采用多元偏最小二乘回归（ＭＰＬＳ，ＰＬＳ２）算法对８０多种同时具有杀菌和除草活性的硫代氨基甲酸酯进行了定量估计和预测，结果良好。
The stoichiometry of multivariate quantitative structure-activity relationship has been studied. Multivariate Partial Least Squares Regression (MPLS, PLS2) algorithm was used to quantitatively estimate and predict more than 80 thiocarbamates with bactericidal and herbicidal activities.