Simultaneous spectrophotometric determination of salicylamide and paracetamol by H-point standard addition method (HPSAM) and partial least squares (PLS) calibration is described. The results showed that simultaneous determinations could be performed with the ratio 0.2:5–20:1 for salicylamide – paracetamol. A partial least – squares multivariate calibration method for the analysis of binary mix...

Random Forests were introduced by Breiman for feature (variable) selection and improved predictions for decision tree models. The resulting model is often superior to AdaBoost and bagging approaches. In this paper the random forests approach is extended for variable selection with other learning models, in this case Partial Least Squares (PLS) and Kernel Partial Least Squares (K-PLS) to estimat...

Abbreviations 3D D three-dimensional; C D molar concentration of a drug; CBG D corticosteroid binding globulin; CoMFA D comparative molecular field analysis; CoMSIA D comparative molecular similarity indices analysis; GOLPE D generating optimal linear PLS estimations; PLS D partial least squares; PRESS D predictive residual sum of squares; RMS D root mean squares; TBG D testosterone binding glo...

Partial least squares (PLS) is sometimes used as an alternative to covariance-based structural equation modeling (SEM). This paper briefly reviews currently available SEM techniques, and provides a critique of the perceived advantages of PLS over covariance-based SEM as commonly cited by PLS users. Specific attention is drawn to the primary disadvantage of PLS, namely the lack of consistency of...

Partial Least Squares (PLS) is a statistical technique that is widely used in the Partial Least Squares (PLS) is a popular technique for estimating structural equation models with latent variables. It is frequently perceived as an alternative to covariance analysis of such models. While its proponents recognize the shortcomings of PLS for testing explanatory models in comparison to covariance m...

This paper addresses the problem of online quality prediction in processes with multiple operating modes. The paper proposes a new method called mixture of partial least squares regression (Mix-PLS), where the solution of the mixture of experts regression is performed using the partial least squares (PLS) algorithm. The PLS is used to tune the model experts and the gate parameters. The solution...

Partial Least Squares (PLS) methods are particularly suited to the analysis of relationships between measures of brain activity and of behavior or experimental design. In neuroimaging, PLS refers to two related methods: (1) symmetric PLS or Partial Least Squares Correlation (PLSC), and (2) asymmetric PLS or Partial Least Squares Regression (PLSR). The most popular (by far) version of PLS for ne...

Numerous experimental and computational approaches have been developed to predict human drug metabolism. Since databases of human drug metabolism information are widely available, these can be used to train computational algorithms and generate predictive approaches. In turn, they may be used to assist in the identification of possible metabolites from a large number of molecules in drug discov...