Journal ArticleDOI
PLS-regression: a basic tool of chemometrics
Reads0
Chats0
TLDR
PLS-regression (PLSR) as mentioned in this paper is the PLS approach in its simplest, and in chemistry and technology, most used form (two-block predictive PLS) is a method for relating two data matrices, X and Y, by a linear multivariate model.About:
This article is published in Chemometrics and Intelligent Laboratory Systems.The article was published on 2001-10-28. It has received 7861 citations till now. The article focuses on the topics: Partial least squares regression.read more
Citations
More filters
Journal ArticleDOI
Structural Requirements of Angiotensin I‐Converting Enzyme Inhibitory Peptides: Quantitative Structure‐Activity Relationship Modeling of Peptides Containing 4‐10 Amino Acid Residues
TL;DR: It is concluded that the reported structural requirements of ACE-inhibitory peptides provide useful information that can be used for the development of more efficacious ACE- inhibitor peptides.
Patent
Methods, systems, and software for identifying functional biomolecules
Claes Gustafsson,Sridhar Govindarajan,Robin Emig,Richard John Fox,Ajoy Roy,Jeremy Minshull,S. Christopher Davis,Anthony Cox,Phillip A. Patten,Linda A. Castle,Daniel L. Siehl,Rebecca Lynne Gorton,Teddy Chen +12 more
TL;DR: In this paper, the authors proposed methods of identifying bio-molecules with desired properties, or which are most suitable for acquiring such properties, from complex bio molecule libraries or sets of such libraries.
Journal ArticleDOI
Multi-method ensemble selection of spectral bands related to leaf biochemistry
TL;DR: In this paper, an ensemble of regression models, consisting of Partial Least Squares (PLSR), Random Forest (RFR), and Support Vector Machine regression (SVMR), was used for spectral band selection.
Journal ArticleDOI
The shared and unique values of optical, fluorescence, thermal and microwave satellite data for estimating large-scale crop yields.
Kaiyu Guan,Jin Wu,John S. Kimball,Martha C. Anderson,Stephen E. Frolking,Bo Li,Christopher Hain,David B. Lobell +7 more
TL;DR: In this article, the authors used Partial Least Square Regression (PLSR) to distinguish commonly shared and unique individual information from the various satellite data and other ancillary climate information for crop yield prediction.
Journal ArticleDOI
Proteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targets
Gerard J. P. van Westen,Jörg K. Wegner,Adriaan P. IJzerman,Herman W. T. van Vlijmen,Andreas Bender +4 more
TL;DR: It is concluded that proteochemometrics is a promising technique in preclinical drug research that allows merging data sets that were previously considered separately, with the potential to extrapolate more reliably both in ligand as well as target space.
References
More filters
Book
Regression Diagnostics: Identifying Influential Data and Sources of Collinearity
TL;DR: In this article, the authors present a method for detecting and assessing Collinearity of observations and outliers in the context of extensions to the Wikipedia corpus, based on the concept of Influential Observations.
Book
A User's Guide to Principal Components
TL;DR: In this paper, the authors present a directory of Symbols and Definitions for PCA, as well as some classic examples of PCA applications, such as: linear models, regression PCA of predictor variables, and analysis of variance PCA for Response Variables.
Journal ArticleDOI
A Leisurely Look at the Bootstrap, the Jackknife, and Cross-Validation
Bradley Efron,Gail Gong +1 more
TL;DR: This paper reviewed the nonparametric estimation of statistical error, mainly the bias and standard error of an estimator, or the error rate of a prediction rule, at a relaxed mathematical level, omitting most proofs, regularity conditions and technical details.