ropensci / webchemLinks
Chemical Information from the Web
☆170Updated 5 months ago
Alternatives and similar repositories for webchem
Users that are interested in webchem are comparing it to the libraries listed below
Sorting:
- US EPA's Toxicity Forecaster (ToxCast) Pipeline. More information on the ToxCast program available here: https://www.epa.gov/comptox-tool…☆36Updated 3 weeks ago
- R package for fitting kinetic models with one or more state variables to chemical degradation data☆11Updated 3 weeks ago
- Integrating R and the CDK☆43Updated last year
- Workflow solutions for mass-spectrometry based non-target analysis.☆65Updated this week
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆75Updated 8 months ago
- Shortcode to embed proteins and trajectories with Mol*☆47Updated last year
- US EPA's Toxicity Reference Database (ToxRefDB)☆21Updated 2 years ago
- Cheminformatics Toolkit for R☆16Updated 2 weeks ago
- 🧬 An R package for visualizing molecular data in 3D☆90Updated last year
- 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☆117Updated this week
- Website code for COCONUT☆35Updated last year
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆98Updated 8 months ago
- Creating and using (chemical) compound databases☆18Updated last week
- Retip - Retention Time prediction for metabolomics☆33Updated last year
- US EPA's ctxR: Utilities for Interacting with the CTX APIs in R without prior API knowledge https://www.epa.gov/comptox-tools/computation…☆13Updated last month
- Toolset for the reproducible analysis of chromatography data in R (HPLC-DAD/UV, GC-FID).☆19Updated this week
- R-based access to Mass-Spectrometry data☆24Updated 5 months ago
- This is the git repository matching the Bioconductor package xcms: LC/MS and GC/MS Data Analysis☆200Updated last week
- Compile Mass Spectral Libraries from Various Sources☆17Updated last year
- The R package "httk" provides free, open-source data and models for toxicokinetics. The models are designed to use chemical-specific in v…☆28Updated 3 weeks ago
- Organic/biological mass spectrometry data analysis (development version).☆30Updated 7 years ago
- R functions for the chemometric analysis of spectra☆61Updated last month
- An Neural Networks based QSAR Model and a Connector to SSD☆9Updated 7 years ago
- Parsers for chromatography data in R (HPLC-DAD/UV, GC-FID, MS)☆35Updated last month
- Playground for experiments on the official http://bioconductor.org/packages/devel/bioc/html/RMassBank.html☆13Updated 7 months ago
- CoreMS is a comprehensive mass spectrometry software framework☆59Updated 2 weeks ago
- Open Systems Pharmacology Suite Setup☆115Updated last month
- A pragmatic interface to RDKit in R☆25Updated 5 years ago
- Official repository of open data MassBank records☆93Updated last month