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enviGCMS - GC/LC-MS Data Analysis for Environmental Science

Gas/Liquid Chromatography-Mass Spectrometer(GC/LC-MS) Data Analysis for Environmental Science. This package covered topics such molecular isotope ratio, matrix effects and Short-Chain Chlorinated Paraffins analysis etc. in environmental analysis.

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environmentmass-spectrometrymetabolomics

6.61 score 18 stars 2 dependents 38 scripts 217 downloads

pmd - Paired Mass Distance Analysis for GC/LC-MS Based Non-Targeted Analysis and Reactomics Analysis

Paired mass distance (PMD) analysis proposed in Yu, Olkowicz and Pawliszyn (2018) <doi:10.1016/j.aca.2018.10.062> and PMD based reactomics analysis proposed in Yu and Petrick (2020) <doi:10.1038/s42004-020-00403-z> for gas/liquid chromatography–mass spectrometry (GC/LC-MS) based non-targeted analysis. PMD analysis including GlobalStd algorithm and structure/reaction directed analysis. GlobalStd algorithm could found independent peaks in m/z-retention time profiles based on retention time hierarchical cluster analysis and frequency analysis of paired mass distances within retention time groups. Structure directed analysis could be used to find potential relationship among those independent peaks in different retention time groups based on frequency of paired mass distances. Reactomics analysis could also be performed to build PMD network, assign sources and make biomarker reaction discovery. GUIs for PMD analysis is also included as 'shiny' applications.

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mass-spectrometrymetabolomicsnon-target

6.26 score 12 stars 51 scripts 263 downloads

enet - Network Analysis for Exposomics

Network analysis for exposomics including generation of exposures-metabolites network, metabolites-metabolites network and gatekeeper metabolites discovery for non-targeted high resolution mass spectrometry data. It can be used to discover gatekeepers.

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exposomicsmetabolomicsnetwork-analysis

3.18 score 2 stars 15 scripts

scifetch - Fetch literature data from pubmed, google scholar and RSS

Fetch literature data from pubmed and google scholar in a tidyverse way. This package is written under tidyverse frame.

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google-scholarpubmedrsswebcrawler

2.68 score 14 stars 17 scripts