rwehrens / ChemometricsWithRLinks
R package accompanying the second edition of "Chemometrics with R", Springer
☆14Updated 4 years ago
Alternatives and similar repositories for ChemometricsWithR
Users that are interested in ChemometricsWithR are comparing it to the libraries listed below
Sorting:
- OpenBabel wrapper package for R☆11Updated last month
- data processing for MS-based metabolomics☆15Updated 7 months ago
- The R for Mass Spectrometry meta-package☆17Updated last year
- Various Cheminformatic, Curation and Mass Spectrometry Functions☆14Updated 4 years ago
- These workshops and tutorials provide use cases and examples for mass spectrometry data handling and analysis using the Spectra Bioconduc…☆21Updated 10 months ago
- Create .mzML files through the R Console☆11Updated 3 years ago
- 💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery☆37Updated 9 months ago
- The R package "httk" provides free, open-source data and models for toxicokinetics. The models are designed to use chemical-specific in v…☆29Updated last month
- R Interface to the ClassyFire REST API☆11Updated 4 months ago
- Interfacing R's Spectra package with the Python world.☆12Updated last week
- MS2Tox is a machine learning tool for predicting ecotoxicity of unidentified chemicals in water by nontarget LC/HRMS☆16Updated 6 months ago
- US EPA's Toxicity Reference Database (ToxRefDB)☆21Updated 2 years ago
- Cheminformatics Toolkit for R☆16Updated last month
- The pls R package☆38Updated last month
- Intrinsic Peak Analysis (IPA) pipeline for peak-picking in large-scale untargeted small molecule analysis including metabolomics, lipidom…☆14Updated 2 years ago
- Interactive software to analyze and browse mass spectrometry data☆21Updated last year
- Toolset for the reproducible analysis of chromatography data in R (HPLC-DAD/UV, GC-FID).☆19Updated 3 weeks ago
- R-based access to Mass-Spectrometry data☆24Updated 6 months ago
- High level functionality to support and simplify metabolomics data annotation.☆16Updated 3 weeks ago
- This package is archived and further developed under the name RFSurrogates. In this R-package functions are provided to select important …☆11Updated last year
- On-instrument and post-acquisition targeted feature extraction☆12Updated last year
- GC/LC-MS data analysis for environmental science☆17Updated last month
- US EPA's Toxicity Forecaster (ToxCast) Pipeline. More information on the ToxCast program available here: https://www.epa.gov/comptox-tool…☆36Updated last month
- R Interface to the Metabolights REST API☆11Updated 2 months ago
- An R package framework for accessing biological and chemical databases and developing or extending new connectors.☆11Updated 2 years ago
- Annotation of in source LC/MS data☆12Updated 8 months ago
- metabCombiner R Package: Paired Untargeted Metabolomics Feature Matching & Data Concatenation☆11Updated last year
- A pragmatic interface to RDKit in R☆25Updated 5 years ago
- Rocker image for metabolomics data analysis☆13Updated 3 weeks ago
- R package for MetFrag☆24Updated 7 years ago