Alternatives and similar repositories for webchem

Users that are interested in webchem are comparing it to the libraries listed below

• CDK-R / cdkr
  Integrating R and the CDK
  ☆44Updated last year
• Open-Systems-Pharmacology / PK-Sim
  PK-Sim® is a comprehensive software tool for whole-body physiologically based pharmacokinetic modeling
  ☆132Updated last week
• bryanhanson / ChemoSpec
  R functions for the chemometric analysis of spectra
  ☆61Updated last month
• Open-Systems-Pharmacology / Suite
  Open Systems Pharmacology Suite Setup
  ☆120Updated 2 weeks ago
• USEPA / CompTox-ToxCast-tcpl
  US EPA's Toxicity Forecaster (ToxCast) Pipeline. More information on the ToxCast program available here: https://www.epa.gov/comptox-tool…
  ☆40Updated last month
• jmbuhr / quarto-molstar
  Shortcode to embed proteins and trajectories with Mol*
  ☆50Updated last year
• girke-lab / ChemmineR
  Cheminformatics Toolkit for R
  ☆16Updated last month
• schymane / RChemMass
  Various Cheminformatic, Curation and Mass Spectrometry Functions
  ☆14Updated 4 years ago
• USEPA / CompTox-ToxRefDB
  US EPA's Toxicity Reference Database (ToxRefDB)
  ☆24Updated last month
• OrgMassSpec / OrgMassSpecR
  Organic/biological mass spectrometry data analysis (development version).
  ☆30Updated 8 years ago
• rickhelmus / patRoon
  Workflow solutions for mass-spectrometry based non-target analysis.
  ☆68Updated this week
• ethanbass / chromConverter
  Parsers for chromatography data in R (HPLC-DAD/UV, GC-FID, MS)
  ☆39Updated last week
• wkumler / RaMS
  R-based access to Mass-Spectrometry data
  ☆24Updated 3 weeks ago
• USEPA / CompTox-PK-CvTdb
  ☆23Updated 2 months ago
• jranke / mkin
  R package for fitting kinetic models with one or more state variables to chemical degradation data
  ☆11Updated 3 weeks ago
• pauca / RRDKit
  A pragmatic interface to RDKit in R
  ☆25Updated 6 years ago
• USEPA / CompTox-ExpoCast-httk
  The R package "httk" provides free, open-source data and models for toxicokinetics. The models are designed to use chemical-specific in v…
  ☆30Updated 3 weeks ago
• QizhiSu / mspcompiler
  Compile Mass Spectral Libraries from Various Sources
  ☆17Updated last year
• sneumann / xcms
  This is the git repository matching the Bioconductor package xcms: LC/MS and GC/MS Data Analysis
  ☆206Updated 2 weeks ago
• ethanbass / chromatographR
  Toolset for the reproducible analysis of chromatography data in R (HPLC-DAD/UV, GC-FID).
  ☆20Updated last month
• USEPA / ctxR
  US EPA's ctxR: Utilities for Interacting with the CTX APIs in R without prior API knowledge https://www.epa.gov/comptox-tools/computation…
  ☆15Updated this week
• swsoyee / r3dmol
  🧬 An R package for visualizing molecular data in 3D
  ☆93Updated last year
• svkucheryavski / mdatools
  R package for Multivariate Data Analysis
  ☆38Updated last year
• MassBank / RMassBank
  Playground for experiments on the official http://bioconductor.org/packages/devel/bioc/html/RMassBank.html
  ☆13Updated 11 months ago
• humanpred / pknca
  An R package is designed to perform all noncompartmental analysis (NCA) calculations for pharmacokinetic (PK) data.
  ☆77Updated 3 weeks ago
• aberHRML / classyfireR
  R Interface to the ClassyFire REST API
  ☆11Updated 7 months ago
• oloBion / Retip
  Retip - Retention Time prediction for metabolomics
  ☆32Updated last year
• rformassspectrometry / Spectra
  Low level infrastructure to handle MS spectra
  ☆41Updated last week
• nanxstats / Rcpi
  💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery
  ☆37Updated last year
• berlinguyinca / spectra-hash
  The splash, this is the reference documentation
  ☆25Updated last year