💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery
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Updated
May 10, 2024 - R
💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery
volcalc: Calculate Volatility of Chemical Compounds
Toolset for the reproducible analysis of chromatography data in R (HPLC-DAD/UV, GC-FID).
Load and analyze MS-DIAL alignment files in R for analysis of mass spectrometry data.
Parsers for chromatography data in R (HPLC-DAD/UV, GC-FID, MS)
[PATENT PENDING] R package that automates mass spectrometry data processing
MATEO: InterMolecular Amidoalkylation Theoretical Enantioselectivity Optimization Web Server
Spectroscopic data processing approaches for petroleum wax discrimination
Despliegue de aplicación web mlbiopredict. Genera predicciones de bioactividades ingresando el código SMILES de una molécula.
This app enables exploration of the Drug-Target Explorer database.
R package for translating between drug identifiers using the Chemical Translation Service (CTS)
An R package framework for accessing biological and chemical databases and developing or extending new connectors.
Clonogenic Survival Analysis in R made easy!
Nextcast: a software suite to analyse and model toxicogenomics data
⚗️ Tidy Chemical Data
Data analysis and prediction of small-molecule accumulation in Gram-negative bacteria
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