Showing 35 of total 35 results (show query)

bioc

ropls:PCA, PLS(-DA) and OPLS(-DA) for multivariate analysis and feature selection of omics data

Latent variable modeling with Principal Component Analysis (PCA) and Partial Least Squares (PLS) are powerful methods for visualization, regression, classification, and feature selection of omics data where the number of variables exceeds the number of samples and with multicollinearity among variables. Orthogonal Partial Least Squares (OPLS) enables to separately model the variation correlated (predictive) to the factor of interest and the uncorrelated (orthogonal) variation. While performing similarly to PLS, OPLS facilitates interpretation. Successful applications of these chemometrics techniques include spectroscopic data such as Raman spectroscopy, nuclear magnetic resonance (NMR), mass spectrometry (MS) in metabolomics and proteomics, but also transcriptomics data. In addition to scores, loadings and weights plots, the package provides metrics and graphics to determine the optimal number of components (e.g. with the R2 and Q2 coefficients), check the validity of the model by permutation testing, detect outliers, and perform feature selection (e.g. with Variable Importance in Projection or regression coefficients). The package can be accessed via a user interface on the Workflow4Metabolomics.org online resource for computational metabolomics (built upon the Galaxy environment).

Maintained by Etienne A. Thevenot. Last updated 5 months ago.

regressionclassificationprincipalcomponenttranscriptomicsproteomicsmetabolomicslipidomicsmassspectrometryimmunooncology

3.3 match 7.55 score 210 scripts 8 dependents

iembry

chem.databases:Collection of 3 Chemical Databases from Public Sources

Contains the Multi-Species Acute Toxicity Database (CAS & SMILES columns only) [United States (US) Department of Health and Human Services (DHHS) National Institutes of Health (NIH) National Cancer Institute (NCI), "Multi-Species Acute Toxicity Database", <https://cactus.nci.nih.gov/download/acute-toxicity-db/>] combined with the Toxic Substances Control Act (TSCA) Inventory [United States Environmental Protection Agency (US EPA), "Toxic Substances Control Act (TSCA) Chemical Substance Inventory", <https://www.epa.gov/tsca-inventory/how-access-tsca-inventory} and <https://cdxapps.epa.gov/oms-substance-registry-services/substance-list-details/169>] and the Agency for Toxic Substances and Disease Registry (ATSDR) Database [United States (US) Department of Health and Human Services (DHHS) Centers for Disease Control and Prevention (CDC)/Agency for Toxic Substances and Disease Registry (ATSDR), "Agency for Toxic Substances and Disease Registry (ATSDR) Database", <https://cdxapps.epa.gov/oms-substance-registry-services/substance-list-details/105>] in 2 data sets. One data set has a focus on the latter 2 databases and one data set focuses on the former database. Also contains the collection of chemical data from Wikipedia compiled in the US EPA CompTox Chemicals Dashboard [United States Environmental Protection Agency (US EPA) / Wikimedia Foundation, Inc. "CompTox Chemicals Dashboard v2.2.1", <https://comptox.epa.gov/dashboard/chemical-lists/WIKIPEDIA>].

Maintained by Irucka Embry. Last updated 1 years ago.

9.4 match 1.70 score

r-gregmisc

gmodels:Various R Programming Tools for Model Fitting

Various R programming tools for model fitting.

Maintained by Gregory R. Warnes. Last updated 3 months ago.

1.5 match 1 stars 10.01 score 3.5k scripts 30 dependents