mQTL.NMR

mQTL.NMR performs preprocessing, dimensionality reduction, and mQTL mapping of untargeted ^1H NMR metabolomic data to identify metabolic quantitative trait loci and improve structural assignment of genetically determined metabolites.

Key Features:

• Preprocessing Steps: Includes preprocessing to restore spectral dependency in collinear NMR datasets and reduce the multiple testing burden.
• Peak Alignment and Normalization: Provides peak alignment using the RSPA approach and normalization via widely used methods.
• Dimensionality Reduction: Employs SRV (Sliced Average Variance Estimation) and binning approaches for dimensionality reduction.
• mQTL Mapping: Performs mQTL mapping applicable to human cohorts and rodent models.
• Statistical Enhancement: Enhances structural assignment of genetically determined metabolites through statistical methods.
• Visualization Tools: Includes visualization tools to illustrate analysis results.

Scientific Applications:

• Metabolic Profiling: Integrates ^1H NMR spectroscopy with genomic techniques to support comprehensive metabolic profiling.
• Genetic Association Studies: Maps metabotypes to quantitative traits to discover genetic associations.
• Cross-Species Analysis: Supports comparative studies across human and rodent models.

Methodology:

Computational methods explicitly include preprocessing to restore spectral dependency, peak alignment via RSPA, normalization by widely used methods, dimensionality reduction via SRV and binning, mQTL mapping, statistical methods for structural assignment, and visualization, implemented as a chemoinformatic approach within the R/Bioconductor framework.