Integrated Data Science Laboratory for Metabolomics and Exposomics

IDSL.IPA

Intrinsic Peak Analysis (IPA) pipeline for peak-picking in large-scale untargeted small molecule analysis including metabolomics, lipidomics, exposomics, and environmental studies.

IDSL_MINT

A Deep Learning Framework to Interpret Raw Mass Spectrometry (m/z) Data

IDSL.UFA

United Formula Annotation (UFA) for LC-HRMS data

IDSL.CSA

Composite Spectra Analysis

IDSL.MXP

A light weight and fast parser for reading mzML, mzXML and netCDF data files

CCDB

Chemical Correlation Database (CCDB)

IDSL.GOA

Gene Ontology Analysis for Metabolomics

IDSL.FSA

Fragmentation Spectra Analysis

IDSL.NPA

A pipeline for processing nominal mass spectrometry data to create .msp files for untargeted MS/MS workflows.

IDSL.UFAx

Exhaustive Formula Annotation from ions to formula

TextMiningData

canceragents

Prioritization of agents for cancer hazard assessments

ChemRICH

Chemical Similarity Enrichment analysis of metabolomics datasets

ECID

Exposome Correlation and Interpretation Database (ECID)

NHANES-COR

.github

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IDSL.SUFA

A simplified version of the 'IDSL.UFA' package