ropensci / webchem
Chemical Information from the Web
☆168Updated 4 months ago
Alternatives and similar repositories for webchem:
Users that are interested in webchem are comparing it to the libraries listed below
- Integrating R and the CDK☆43Updated last year
- R package for fitting kinetic models with one or more state variables to chemical degradation data☆11Updated 3 weeks ago
- US EPA's Toxicity Forecaster (ToxCast) Pipeline. More information on the ToxCast program available here: https://www.epa.gov/comptox-tool…☆36Updated this week
- Workflow solutions for mass-spectrometry based non-target analysis.☆65Updated this week
- Official repository of open data MassBank records☆90Updated this week
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆74Updated 6 months ago
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆97Updated 6 months ago
- Open Systems Pharmacology Suite Setup☆114Updated 2 months ago
- US EPA's Toxicity Reference Database (ToxRefDB)☆21Updated 2 years ago
- Cheminformatics Toolkit for R☆15Updated 2 weeks ago
- 🧬 An R package for visualizing molecular data in 3D☆90Updated last year
- Various Cheminformatic, Curation and Mass Spectrometry Functions☆13Updated 4 years ago
- R functions for the chemometric analysis of spectra☆61Updated last week
- ☆21Updated 6 months ago
- Shortcode to embed proteins and trajectories with Mol*☆44Updated 11 months ago
- Website code for COCONUT☆35Updated last year
- PK-Sim® is a comprehensive software tool for whole-body physiologically based pharmacokinetic modeling☆113Updated this week
- This is the git repository matching the Bioconductor package xcms: LC/MS and GC/MS Data Analysis☆198Updated this week
- Organic/biological mass spectrometry data analysis (development version).☆30Updated 7 years ago
- Low level infrastructure to handle MS spectra☆41Updated 2 weeks ago
- Toolset for the reproducible analysis of chromatography data in R (HPLC-DAD/UV, GC-FID).☆18Updated last month
- Playground for experiments on the official http://bioconductor.org/packages/devel/bioc/html/RMassBank.html☆13Updated 6 months ago
- A pragmatic interface to RDKit in R☆25Updated 5 years ago
- R-based access to Mass-Spectrometry data☆24Updated 4 months ago
- htmlwidgets for chemdoodle web components☆18Updated 4 years ago
- Parsers for chromatography data in R (HPLC-DAD/UV, GC-FID, MS)☆35Updated this week
- The R package "httk" provides free, open-source data and models for toxicokinetics. The models are designed to use chemical-specific in v…☆27Updated this week
- Retip - Retention Time prediction for metabolomics☆33Updated 10 months ago
- This is the git repository matching the Bioconductor package CAMERA: Collection of annotation related methods for mass spectrometry data☆11Updated last year
- MZmine 2 source code repository☆132Updated 11 months ago