Partial Least Squares Projections to Latent Structures PLS in Chemistry

Partial least squares regression (PLS) is more important in chemometrics than in other fields of applied statistics (see Partial Least Squares Projections to Latent Structures (PLS) in Chemistry). PLS can be considered as an alternative method to PCR and LDA. The aim of data interpretation is to build a linear model for the prediction of a response y from the independent variables (regressors, features)x],X2- - Xp as given in equation (27) ... 

Chemometrics Multivariate View on Chemical Problems Linear Free Energy Relationships (LFER) Partial Least Squares Projections to Latent Structures (PLS) in Chemistry Pharmacophore and Drug Discovery Quantitative Structure-Activity Relationships in Drug Design. 

Partial Least Squares Projections to Latent Structures (PLS) in Chemistry... 

PARTIAL LEAST SQUARES PROJECTIONS TO LATENT STRUCTURES (PLS) IN CHEMISTRY 2007... 

Linear or nonlinear multiple regression analysis is used as a statistical tool to derive quantitative models, to check the significance of these models and of each individual term in the regression equation. Other statistical methods, such as discriminant analysis, principal component analysis (PCA), or partial least squares (PLS) analysis (see Partial Least Squares Projections to Latent Structures (PLS) in Chemistry) are alternatives to regression analysis (see Che mo me tries Multivariate View on Chemical Problems)Newer approaches compare the similarity of molecules with respect to different physicochemical or other properties with their biological activities. 

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