search for: cheminformatics

...by outlier removal procedure, or resampling technique. I am wondering if there is any R package or R code that have incorporated outlier removal or resampling procedure in calculating correlation coefficient. Your help is greatly appreciated. Thanks. Yang Yang Qiu Integrated Data Analysis Cheminformatics@RTP GlaxoSmithKline [[alternative HTML version deleted]]

Dear Colleagues, If you have a need to outsource any coding in R please check the web site of the Research Centre for Cheminformatics in Belgrade, Serbia http://www.rcc.org.yu . We have skilled statisticians experienced in R, fluent in English and with work experience in the West. For more information please check our website http://www.rcc.org.yu/outsourcing.htm or contact me. Kind regards, DK ----------------- Damjan Krstajic...

...be able to pass the matrix into R, compute a distance matrix using dist() and then plot hierarchial cluster using hclust() and then further plot cluster heatmaps calling the bioconductor library. Is Rserve enough for this or will I also need rJava ? Please Reply Thanks -- Sashikiran Challa MS Cheminformatics, School of Informatics and Computing, Indiana University, Bloomington,IN schalla@indiana.edu 812-606-3254 [[alternative HTML version deleted]]

...lling method. I cannot find any references to Y-randomization or Y-scrambling anywhere in the literature outside chemometrics/QSAR. Any links or references would be much appreciated. Thanks in advance. DK ---------------------------------------------- Damjan Krstajic Director Research Centre for Cheminformatics Belgrade, Serbia ---------------------------------------------- _________________________________________________________________ Tell us your greatest, weirdest and funniest Hotmail stories [[alternative HTML version deleted]]

I have received a few private emails asking for some simple demonstration of calling Java code from R using the rJava package (which can be installed directly inside R). Here is one example for convolving two vectors (an example in the R manual about linking C with R). First write a Java program public class my_convolve { public static double[] convolve(double[] a, double[] b)

hello all, Could someone please tell me how should I pass a double[][] (matrix of any size) that I have in Java, into R using Rserve. Thanks Sashikiran -- Sashikiran Challa MS Cheminformatics, School of Informatics and Computing, Indiana University, Bloomington,IN schalla@indiana.edu 812-606-3254 [[alternative HTML version deleted]]

...if there is any unique approach, maybe using bootstrap, which can be used on f() where f() is kind of black box. Any references to the literature or R packages would be very welcome. Thanks in advance. DK ---------------------------------------------- Damjan Krstajic Director Research Centre for Cheminformatics Belgrade, Serbia ---------------------------------------------- _________________________________________________________________ Send us your Hotmail stories and be featured in our newsletter [[alternative HTML version deleted]]

...NT=en_US.UTF-8 LC_IDENTIFICATION=C attached base packages: [1] stats graphics grDevices utils datasets methods base > system("uname -a") Linux biocluster 2.6.26-2-openvz-amd64 #1 SMP Tue Jan 25 06:04:33 UTC 2011 x86_64 GNU/Linux Thank you, Tyler William H Backman Cheminformatics Programmer Department of Botany and Plant Sciences E-mail: tyler.backman at ucr.edu 1207E Genomics Building University of California Riverside, CA 92521

...f novel methods demonstrated by publication record - Ability to learn, be proactive and motivated, and consistently focus on details and execution. - Ablility to function effectively in a team environment - Ability to collaborate with multi-discipline scientists Preferred: - Bioinformatics and Cheminformatics - Assay development and validation (e.g., PCR, immunoassays, immunohistochemistry) - Knowledge of technology platforms, e.g. NGS - Application of Bayesian methods to high-dimensional-data analysis - Graphical Models Our employees are the key to our company's success. We demonstrate our com...

Dear R users! Does someone know about any algorithms / packages in R, that perform classification / regression / decision trees using multivariate splits? I have done some research, but I found nothing. Packages "tree" and "rpart" seem only to be able to do CART with univariate splits. Thank you for your help! B?lint -- Cz?cz B?lint PhD hallgat? BCE KTK Talajtan ?s

If anyone has a list of application areas where there is extensive use of R, I'd like to hear of it. My current short list is: Bioinformatics Epidemiology Geophysics Agriculture and crop science John Maindonald Mathematical Sciences Institute, Australian National University. john.maindonald at anu.edu.au