The Database Infrastructure for Mass Spectrometry (DIMSpec) project
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Updated
Jun 27, 2025 - R
The Database Infrastructure for Mass Spectrometry (DIMSpec) project
Data hub and data tool repository related to the NIST PFAS Program.
Data of PFAS-related lawsuits used to produce the May 23, 2022 Bloomberg Law story, "Companies Face Billions in Damages as PFAS Lawsuits Flood Courts"
US drinking water quality data by ZIP code — EPA violations, lead/copper levels, PFAS, radon, flood risk, and Home Safety Scores for 41,000+ ZIPs. 20 federal/state sources. Updated daily. CC BY 4.0.
Data-driven discovery of linear molecular probes with optimal selective affinity for PFAS in water
Core scripts for FluoroMatch, LipidMatch, and PolyMatch
This repository provides the code for machine learning models predicting the partitioning coefficient of PFASs and all associated raw datasets.
Rapid screening: degradation-relevant properties of forever chemicals
A chemical kinetic simulation and economic optimization framework evaluating Advanced Oxidation Process (AOP) feasibility for local PFAS groundwater remediation.
The Contaminant Observations and Samples Ontology (ContaminOSO)
QueueTY (pronounced Cutie, short for Queue, Thank You) is a program that enables users to automate computational calculations of molecules using Vconf, turbomole and COSMOtherm.
Decentralized environmental monitoring network on Cardano – VerdantWatch Catalyst Fund15 proposal
Data Analysis for targeted LCMS Analysis
A reproducible machine learning pipeline integrating EPA ECOTOX and CompTox datasets to model PFAS bioaccumulation across species
Associated repository for the "Forever Chemicals, Broken Trust: The PFAS Crisis Explained" 15 minute discourse podcast on YouTube!
34759 Perception for Autonomous Systems - Final Project
Natural variation in transplacental transfer efficiency exposes distinct transcriptional network architectures of PFAS effects on birth weight and gestational age
Descriptor-based analysis of PFAS passive membrane permeation (RDKit), with hypotheses for MD/AWH validation. Preparatory work for a PhD on in silico PFAS toxicokinetics.
Free open datasets of US environmental risk (flood, wildfire, hurricane, earthquake, air, PFAS, water) from public FEMA/EPA/USGS/NOAA data — CC BY 4.0. Companion to protectmyzip.com.
R code for my master’s thesis titled: “Evaluating multi-pollutant methods for PFAS mixture effects on immunometabolic health” Hasselt University, Master in statistics & data science: quantitative epidemiology, 2025
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