pauca / RRDKit
A pragmatic interface to RDKit in R
β25Updated 5 years ago
Alternatives and similar repositories for RRDKit:
Users that are interested in RRDKit are comparing it to the libraries listed below
- β28Updated 2 years ago
- π Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discoveryβ37Updated 4 months ago
- Model-based Analysis of Protein Degradabilityβ10Updated 3 years ago
- Metabolomics software for database-assisted deconvolution of MS/MS spectraβ18Updated last year
- Missing value imputation and evaluation, especially for metabolomics data setsβ18Updated 6 years ago
- Elucidate and visualise a compound's mechanism of action by combining structure-based target prediction with gene expression-based causalβ¦β12Updated last year
- R package for MetFragβ24Updated 7 years ago
- β14Updated 7 years ago
- These workshops and tutorials provide use cases and examples for mass spectrometry data handling and analysis using the Spectra Bioconducβ¦β19Updated 5 months ago
- 𧬠Toolkit for generating various numerical features of protein sequencesβ52Updated 4 months ago
- β10Updated last year
- R Interface to the ClassyFire REST APIβ10Updated 2 years ago
- R interface to Chemical Translation Service (CTS)β14Updated 6 months ago
- generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions.β16Updated 5 years ago
- Chemical Similarity Enrichment analysis of metabolomics datasetsβ27Updated 6 months ago
- β15Updated last year
- Cheminformatics Toolkit for Rβ14Updated 4 months ago
- β16Updated 5 years ago
- Repository for storing code related to the paper by Zdrazil B., Richter L., Brown N., and Guha R. "Moving Targets: Monitoring Target Trenβ¦β9Updated 4 years ago
- Integrating R and the CDKβ42Updated 10 months ago
- Pipeline for assessing the tractability of potential targets (starting from Gene IDs)β20Updated 6 months ago
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Modelsβ15Updated last year
- US EPA's Toxicity Forecaster (ToxCast) Pipeline. More information on the ToxCast program available here: https://www.epa.gov/comptox-toolβ¦β33Updated this week
- The MetaRbolomics book. A review of R packages in BioC, CRAN, gitlab and github.β33Updated 3 years ago
- Various Cheminformatic, Curation and Mass Spectrometry Functionsβ13Updated 4 years ago
- β10Updated 6 years ago
- An R package to calculate indices and theoretical physicochemical properties of peptides and protein sequences.β82Updated last year
- An R package framework for accessing biological and chemical databases and developing or extending new connectors.β11Updated 2 years ago
- Analysis platform for large-scale dose-dependent dataβ23Updated 2 weeks ago
- Metabolome Annotation Workflowβ25Updated 10 months ago