💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery
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Updated
Jul 21, 2024 - R
💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery
Parsers for chromatography data in R (HPLC-DAD/UV, GC-FID, MS)
Toolset for the reproducible analysis of chromatography data in R (HPLC-DAD/UV, GC-FID).
An R package framework for accessing biological and chemical databases and developing or extending new connectors.
⚗️ Tidy Chemical Data
This app enables exploration of the Drug-Target Explorer database.
Data analysis and prediction of small-molecule accumulation in Gram-negative bacteria
[PATENT PENDING] R package that automates mass spectrometry data processing
volcalc: Calculate Volatility of Chemical Compounds
R package for translating between drug identifiers using the Chemical Translation Service (CTS)
Spectroscopic data processing approaches for petroleum wax discrimination
Load and analyze MS-DIAL alignment files in R for analysis of mass spectrometry data.
Clonogenic Survival Analysis in R made easy!
Nextcast: a software suite to analyse and model toxicogenomics data
MATEO: InterMolecular Amidoalkylation Theoretical Enantioselectivity Optimization Web Server
Despliegue de aplicación web mlbiopredict. Genera predicciones de bioactividades ingresando el código SMILES de una molécula.
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