similar to: categorical variable coefficients in QSAR

Hello R Users, I am interested in using R to generate quantitative structure-activity relationships (QSARs) for small molecules given a set of molecular descriptors (the X's) and biological data (Y's) (usually tab-delimited data files). Has anyone done this using R ? Would you be willing to share your R scripts (or ideas) for doing this with me ? I am particularly interested in

Dear list, I would like to plot points with two types of labels, one at the data point (the name of the point) and another offset a bit with another factor which is either of the two greek characters alpha or beta. I have tried to get the routine to plot a greek character with expression() or with substitute() and have not yet had any success. The following only plots the word in english in

On Sat, 2011-10-29 at 15:16 -0500, Hal Finkel wrote: > On Sat, 2011-10-29 at 14:02 -0500, Hal Finkel wrote: > > On Sat, 2011-10-29 at 12:30 -0500, Hal Finkel wrote: > > > Ralf, et al., > > > > > > Attached is the latest version of my autovectorization patch. llvmdev > > > has been CC'd (as had been suggested to me); this e-mail contains > >

I tried toy problems and there doesn't seem to be a basic problem between lm() and ts objects: X = data.frame(x=c(1,2,7,9), y=c(7,2,3,1)) lm(y ~ x, X) X <- lapply(X, function(x) ts(x, frequency=12, start=c(1994,7))) lm(y ~ x, X) and this works fine - whether you do an lm() before or after making ts objects, it's okay. But I have a situation where things aren't okay.

Dear all, I am a statistician doing research in QSAR, building regression models where the dependent variable is a numerical expression of some chemical activity and input variables are chemical descriptors, e.g. molecular weight, number of carbon atoms, etc. I am building regression models and I am confronted with a widely a technique called Y-RANDOMIZATION for which I have difficulties in

On Sat, 2011-10-29 at 14:02 -0500, Hal Finkel wrote: > On Sat, 2011-10-29 at 12:30 -0500, Hal Finkel wrote: > > Ralf, et al., > > > > Attached is the latest version of my autovectorization patch. llvmdev > > has been CC'd (as had been suggested to me); this e-mail contains > > additional benchmark results. > > > > First, these are preliminary

Sir, This query is related to randomForest regression using R. I have a dataset called qsar.arff which I use as my training set and then I run the following function - rf=randomForest(x=train,y=trainy,xtest=train,ytest=trainy,ntree=500) where train is a matrix of predictors without the column to be predicted(the target column), trainy is the target column.I feed the same data

Hi people! (Especially Johannes, probably =) I recently switched to DSPAM + antispam plugin combination. Mostly I am happy but there is a problem with calling dspam-exec in order to relearn the messages. Moving messages to spam folder does not work, giving the error message 'Failed to call dspam' to client. I tried to add some debug output and here are the results: This is the output of

Hi: I'm starting a research of Support Vector Regression. I want to obtain a model to predict a property A with a set of property B, C, D, ... This problem is very common for example in QSAR models. I want to know some examples and package that could help me in this way. I know about caret and e1071. But I' don't know if this package can work with continues variables.?

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]]

On Sat, 2011-10-29 at 12:30 -0500, Hal Finkel wrote: > Ralf, et al., > > Attached is the latest version of my autovectorization patch. llvmdev > has been CC'd (as had been suggested to me); this e-mail contains > additional benchmark results. > > First, these are preliminary results because I did not do the things > necessary to make them real (explicitly quiet the

Error in mvr(Kd_nM ~ qsar, ncomp = 6, data = my, validation = "CV", method = "kernelpls") :   Invalid number of components, ncomp How I can fix this? [[alternative HTML version deleted]]

Ralf, et al., Attached is the latest version of my autovectorization patch. llvmdev has been CC'd (as had been suggested to me); this e-mail contains additional benchmark results. First, these are preliminary results because I did not do the things necessary to make them real (explicitly quiet the machine, bind the processes to one cpu, etc.). But they should be good enough for discussion.

> > On 2022-11-08 15:49, Orion Poplawski wrote: > > On 11/8/22 13:12, Simon Matter wrote: > > Is anyone else experiencing trouble with > kernel-3.10.0-1160.80.1.el7.x86_64? > > I'm seeing a kernel panics in the kvm module on one of our VM hosts with > > it. > > I did notice a new libvirt

Dear list, I have a question concerning the above mentioned methods in the pls package with respect to the loadings matrix produced by the call. In some work I am doing I have found that the values produced are nearly of the same magnitude but of opposite sign. When I use the example data (sensory) I find this result reproduced. I am prepared to work this through but I have a feeling that

I apologize in advance for posting a question not related to R. I need references to papers that use multiple linear regression in an industrial application and also in a biological experiment. This is aimed to biologists/chemists (non-statisticans) so if anyone has written a brilliant paper where the use of multiple regression is important and also understandable to people with little

Hi there, Recently, i had a kernel panic on my computer.. Afortunately, I had backup and easily made a restore of the computer. BUT, samba has become a really headache for me. First of all, I had to rejoin the domain in the clients, that was fine, the users could login to the clients, but they couldn't open some programs like Inventor nor AutoCAD. On the try to resolve that, it started to

This issue has been around for some months, but other things keep crowding out a fix. uname give me 3.10.0-1160.36.2.el7.x86_64 #1 SMP Wed Jul 21 11:57:15 UTC 2021 yet I have 3.10.0-1160.76.1.el7.x86_64 3.10.0-1160.81.1.el7.x86_64 3.10.0-1160.83.1.el7.x86_64 3.10.0-1160.88.1.el7.x86_64 loaded. The system uses UEFI to boot. sudo ls -l /sys/firmware/efi gives: total 0 -r--r--r--.? 1 root

Hi List, I am trying to look up an object using getAnywhere, where the object I am looking for is given by the _value_ of the variable I am looking for. Since getAnywhere calls substitue on its argument it is looking for an object with the name of the argument not its value. Is there a way to work around this, or do I have to make my own getAnywhere without the substitute? This is an example to

Dear R users, I have a dataset with two variables: $esan - a grouping factor with 8 levels and $reus. I'd like to do wilcox.test on this dataset as sugested Weiwei here: https://stat.ethz.ch/pipermail/r-help/2007-July/136627.html. I tried to adapt his recommendation but no succes. Can anyone help me? Regards, Iurie Malai, Senior Lecturer Department of Psychology Faculty of Psychology and