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
This repository provides the code for machine learning models predicting the partitioning coefficient of PFASs and all associated raw datasets.
Core scripts for FluoroMatch, LipidMatch, and PolyMatch
Rapid screening: degradation-relevant properties of forever chemicals
The Contaminant Observations and Samples Ontology (ContaminOSO)
Data Analysis for targeted LCMS Analysis
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.
Associated repository for the "Forever Chemicals, Broken Trust: The PFAS Crisis Explained" 15 minute discourse podcast on YouTube!
A chemical kinetic simulation and economic optimization framework evaluating Advanced Oxidation Process (AOP) feasibility for local PFAS groundwater remediation.
Decentralized environmental monitoring network on Cardano – VerdantWatch Catalyst Fund15 proposal
34759 Perception for Autonomous Systems - Final Project
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.
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.
Natural variation in transplacental transfer efficiency exposes distinct transcriptional network architectures of PFAS effects on birth weight and gestational age
Sidian's webpage
Metabolic simulation of lipid and energy pathways in mouse Genome-scale model and investigation of PFAS congeners' toxicity
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