nanxstats / RcpiLinks
π Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery
β37Updated 10 months ago
Alternatives and similar repositories for Rcpi
Users that are interested in Rcpi are comparing it to the libraries listed below
Sorting:
- A pragmatic interface to RDKit in Rβ25Updated 5 years ago
- β30Updated 3 years ago
- 𧬠Toolkit for generating various numerical features of protein sequencesβ53Updated 10 months ago
- Integrating R and the CDKβ44Updated last year
- LipidFinder: A computational workflow for discovery of new lipid molecular speciesβ20Updated 4 years ago
- generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions.β16Updated 5 years ago
- β17Updated 6 years ago
- Metabolomics software for database-assisted deconvolution of MS/MS spectraβ19Updated last year
- Elucidate and visualise a compound's mechanism of action by combining structure-based target prediction with gene expression-based causalβ¦β12Updated 2 years ago
- data processing for MS-based metabolomicsβ15Updated 8 months ago
- Rocker image for metabolomics data analysisβ13Updated 2 months ago
- LipidCreator is a powerful stand alone kick-off tool for targeted lipidomics and a plugin for Skyline. It provides convenient tools to geβ¦β11Updated last month
- MS2Tox is a machine learning tool for predicting ecotoxicity of unidentified chemicals in water by nontarget LC/HRMSβ16Updated 3 weeks ago
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Modelsβ17Updated 2 years ago
- High level functionality to support and simplify metabolomics data annotation.β16Updated 2 months ago
- R Interface to the ClassyFire REST APIβ11Updated 5 months ago
- Annotation of in source LC/MS dataβ12Updated 9 months ago
- The MetaRbolomics book. A review of R packages in BioC, CRAN, gitlab and github.β33Updated 4 years ago
- Cheminformatics Toolkit for Rβ16Updated 2 months ago
- β14Updated 2 years ago
- A database of In-Silico predicted MS/MS spectrum of Natural Productsβ15Updated 2 years ago
- β13Updated 8 years ago
- An R package framework for accessing biological and chemical databases and developing or extending new connectors.β11Updated 2 years ago
- This repository gathers scripts used for the paper "Open and re-usable annotated mass spectrometry dataset of a chemodiverse collection oβ¦β9Updated 2 years ago
- Chemical Similarity Enrichment analysis of metabolomics datasetsβ29Updated last year
- Target predictionβ12Updated 5 years ago
- EvoEF + evolutionary profile for ddG_bind predictionβ14Updated 2 years ago
- Various Cheminformatic, Curation and Mass Spectrometry Functionsβ14Updated 4 years ago
- R-based access to Mass-Spectrometry dataβ24Updated last week
- A Tool for automated Optimization of XCMS Parametersβ34Updated 2 years ago