Application of GA-Based PLS Analysis in QSAR Studies
基于遗传算法的PLS分析在QSAR研究中的应用

Genetic algorithms(GA)are an effective optimization method,and partial least squares(PLS)are a well\|known multivariate statistical method.The combination of two methods is proposed to construct GA\|based PLS analysis,which is applied to QSAR studies for variable selection and model construction.By the method,a few latent variables can include the information of more variables,thus better QSAR models can be obtained.The method is applied to chlorophenols and mono\|substituted benzene derivatives,and some models are better than the best multivariate regression results.