similar to: nipals in the chemometrics package in R

Dear list members; The code given below corresponds to the PCA-NIPALS (principal component analysis) algorithm adapted from the nipals function in the package chemometrics. The reason for using NIPALS instead of SVD is the ability of this algorithm to handle missing values, but that's a different story. I've been trying to find a way to improve (if possible) the efficiency of the code,

Hi all, I would like to do some QSAR analysis (quantitative structure activity relationship). I need to use some Partial Least Squares (PLS) regression, but I have not seen this option on the R-project. Is it possible to do this kind of regression on R? thank you in advance best regards, olivier [[alternate HTML version deleted]]

Dear friends, I'm confused about how to install packages from source. I just updated R in Lenny from http://cran.fiocruz.br/bin/linux/debian/ I included in sources.list: deb http://cran.fiocruz.br/bin/linux/debian lenny-cran/ deb-src http://cran.fiocruz.br/bin/linux/debian lenny-cran/ Then: apt-get update apt-get install r-base r-base-dev Then I downloaded the package

Hi, I have two catagorical vectors like this; x = c(1, 2, 4, 2, 1) y = c(2, 4, 2 ,4, 1) I want to set up a barplot with the catagories 1-4 horizontally and number of occurances vertically for each vector x,y. I've tried boxplot(table(x,y), beside=T) and boxplot(c(x,y), beside=T) among others, but can't get it to work...Any ideas? I'd apppreciate any help

Dear R-helpers, I am looking, quite unsuccesfully, for a number of functions/packages. Firstly, I am interested in a package for partial least squares. I have found that there seemed to exist a package called pls, but which seems not to run any more with modern versions of R. I have not been able to find certain "chemometrics package" I found some people discussing about in this

Hi everybody! Is there any package or functions to make Partial Least Squares analysis with R? Thanks a lot Luis -------------------------------------------- sapo.pt/kitadsl -.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.- r-help mailing list -- Read http://www.ci.tuwien.ac.at/~hornik/R/R-FAQ.html Send "info", "help", or

I would like to announce the availability of the 'nipals' package on CRAN, https://cran.r-project.org/web/packages/nipals/. The nipals package tries to do just one thing really well...find principal components of a matrix using Nonlinear Partial Least Squares. Missing values are allowed, the principal components are orthogonal, and the code has been heavily optimized. Details of the

I would like to announce the availability of the 'nipals' package on CRAN, https://cran.r-project.org/web/packages/nipals/. The nipals package tries to do just one thing really well...find principal components of a matrix using Nonlinear Partial Least Squares. Missing values are allowed, the principal components are orthogonal, and the code has been heavily optimized. Details of the

Dear All, A new task view "ChemPhys" on chemometrics and computational physics is available on CRAN (http://cran.r-project.org/web/views/ChemPhys.html). It describes packages and functions that are of use in modeling chemical/physical systems. Suggestions and comments regarding this task view are welcome. If you think a new category, package or function should be added, please mail.

Hi all, I've been trying to figure out how to superimpose a histogram on a biplot that shows the relative contribution of each axis. I have been using the NIPALS function (http://biomserv.univ-lyon1.fr/~dray/ files/softwares/nipals.R) to run principal component analyses. Here is a toy example. source("http://biomserv.univ-lyon1.fr/~dray/files/softwares/nipals.R")

Maybe someone out there has done this already .... (which would save me some time): For a repetitive chemometric task I need to retrieve spectra from a Nicolet IR acquisition system into R and analyze them there. The raw spectra are in files ending in the extension .spa. I can use the Omnic software to export them to .csv, but I would like to skip this step since it is manual. Has anyone of you

Dear List I am trying to fit a multinomial model using the mlogit package. Attempting to load the data into mlogit presents the following error. MLOG<-mlogit.data(Mult3,shape="long",choice="CHOICE",alt.var="mode.ids",indivs = "set3",chid.var = "obs") Error in `row.names<-.data.frame`(`*tmp*`, value = c("1.1", "1.2",

Hi ! I've used the example given in the documentation for the prcomp function both in R and SPAD to compare the results obtained. Surprisingly, I do not obtain the same results for the coordinates of the principal composantes with these two softwares. using USArrests data I obtain with R : > summary(prcomp(USArrests)) Importance of components: PC1 PC2

Hello, I would like to do a partial least square discriminant analysis (PLSDA) in R using the package "ropls" Which is in R available via the R command : source("https://bioconductor.org/biocLite.R") I try to do a PLSDA to illustrate the impact of two genders (AP,C) on 5 compounds measured in persons (samples) should be illustrated. When I try to do a PLSDA I get the warning

Dear all, I want to do the following process as a loop ( to run automatically with dimension of X, here 50). How can I do that? Your cooments will be highly appreciable. Alex *# Code:* library(lars) library(chemometrics) X<-matrix(rnorm(2500),ncol=50) dim(X) # [1] 50 50 X1<-X[,2:dim(X)[2]] # I have taken out first column dim(X1) #[1] 50 49 X2<-X1[2:dim(X1)[1],] #

Friends, Is there a Partial Least Squares package implemented in R? Thanks, Lana [[alternative HTML version deleted]]

Sorry for the somewhat nondescript subject line, but I have two questions: 1. What is a really good book on R for a nonprogrammer? 2. How do I open more than one R Graphics: Device 2(ACTIVE). That what is the R command that I can use to keep more than one plot open. I am running a script from a book on Chemometrics that results in more than one graph during the execution, but

Greetings. I'm teaching linear regression this semester and that means I write more functions for my regression support package "rockchalk". I'm at a point now were some fresh eyes would help, so if you are a student in a course on regression, please consider looking over my package overview document here: http://pj.freefaculty.org/R/rockchalk.pdf That tells how you can grab

de Jong, S. (1993) SIMPLS: an alternative approach to partial least squares regression. Chemometrics and Intelligent Laboratory Systems, 18, 251?263 Thanks

Greetings R Developers, I've been testing the alpha release of R-3.0.0 and I noticed that the plotting functionality in package tkrplot was not working correctly. Further diagnosis found the issue to be related to the command '.Tcl("image create Rplot plotname")' from package "tkrplot". The following example is taken from here: