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

Kun-peng: an ultra-fast, low-memory footprint and accurate taxonomy classifier for all

United Formula Annotation (UFA) for LC-HRMS data

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

The Blood Exposome Database

Regional Association of Methylation variability with the Exposome and geNome (RAMEN) is an R package whose goal is to identify Variable Methylated Regions (VMRs) in microarray DNA methylation data. Additionally, using Genotype (G) and Environmental (E) data, it can identify which G, E, G+E or GxE model better explains this variability.

Chemical Correlation Database (CCDB)

PhD paper #1

Scannotation is an automated and user-friendly suspect screening tool for the rapid pre-annotation of LC-HRMS datasets. This software combines several MS1 chemical predictors: m/z, retention times, isotopic patterns and neutral loss patterns, to score the proximity between features and suspects, thus efficiently prioritizing compounds of interest.

Exhaustive Formula Annotation from ions to formula

The EXPOSD ontology represents surrogate data and markers for envirnmental exposures and health outcomes.

Phenome-wide sex differences in environmental effects in NHANES