ropensci / webchemLinks
Chemical Information from the Web
☆171Updated last month
Alternatives and similar repositories for webchem
Users that are interested in webchem are comparing it to the libraries listed below
Sorting:
- Integrating R and the CDK☆44Updated last year
- US EPA's Toxicity Forecaster (ToxCast) Pipeline. More information on the ToxCast program available here: https://www.epa.gov/comptox-tool…☆38Updated last week
- Various Cheminformatic, Curation and Mass Spectrometry Functions☆14Updated 4 years ago
- PK-Sim® is a comprehensive software tool for whole-body physiologically based pharmacokinetic modeling☆125Updated this week
- Open Systems Pharmacology Suite Setup☆120Updated this week
- R functions for the chemometric analysis of spectra☆61Updated 3 weeks ago
- Shortcode to embed proteins and trajectories with Mol*☆49Updated last year
- US EPA's Toxicity Reference Database (ToxRefDB)☆21Updated 2 weeks ago
- R-based access to Mass-Spectrometry data☆24Updated last month
- Organic/biological mass spectrometry data analysis (development version).☆30Updated 8 years ago
- Compile Mass Spectral Libraries from Various Sources☆17Updated last year
- Cheminformatics Toolkit for R☆16Updated 3 months ago
- R package for fitting kinetic models with one or more state variables to chemical degradation data☆11Updated 3 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…☆30Updated last week
- Workflow solutions for mass-spectrometry based non-target analysis.☆66Updated last week
- ☆22Updated last month
- US EPA's ctxR: Utilities for Interacting with the CTX APIs in R without prior API knowledge https://www.epa.gov/comptox-tools/computation…☆14Updated 3 weeks ago
- This is the git repository matching the Bioconductor package CAMERA: Collection of annotation related methods for mass spectrometry data☆11Updated 3 months ago
- Retip - Retention Time prediction for metabolomics☆33Updated last year
- 💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery☆37Updated 11 months ago
- A pragmatic interface to RDKit in R☆25Updated 5 years ago
- An R package is designed to perform all noncompartmental analysis (NCA) calculations for pharmacokinetic (PK) data.☆77Updated last week
- This is the git repository matching the Bioconductor package xcms: LC/MS and GC/MS Data Analysis☆204Updated last week
- Playground for experiments on the official http://bioconductor.org/packages/devel/bioc/html/RMassBank.html☆13Updated 10 months ago
- Parsers for chromatography data in R (HPLC-DAD/UV, GC-FID, MS)☆37Updated this week
- Analysis and Visualisation of Hydrogen/Deuterium Exchange Mass Spectrometry Data☆10Updated 2 weeks ago
- Low level infrastructure to handle MS spectra☆41Updated last week
- Simulate PK-PD models defined as ODE systems☆41Updated last week
- Toolset for the reproducible analysis of chromatography data in R (HPLC-DAD/UV, GC-FID).☆20Updated 3 weeks ago
- ☆13Updated 8 years ago