Antony J. Williams

Systematic Evidence Map for Over One Hundred and Fifty Per- and Polyfluoroalkyl Substances (PFAS).

Linking high resolution mass spectrometry data with exposure and toxicity forecasts to advance high-throughput environmental monitoring.

ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology.

Identifying known unknowns using the US EPA's CompTox Chemistry Dashboard.

In Silico Prediction of Physicochemical Properties of Environmental Chemicals Using Molecular Fingerprints and Machine Learning.

Predicting Organ Toxicity Using in Vitro Bioactivity Data and Chemical Structure.

Exposome-Scale Investigations Guided by Global Metabolomics, Pathway Analysis, and Cognitive Computing.

Weaver's historic accessible collection of synthetic dyes: a cheminformatics analysis.

The CompTox Chemistry Dashboard: a community data resource for environmental chemistry.

Integrating tools for non-targeted analysis research and chemical safety evaluations at the US EPA.

Suspect Screening Analysis of Chemicals in Consumer Products.

A comparison of three liquid chromatography (LC) retention time prediction models.

OPERA models for predicting physicochemical properties and environmental fate endpoints.

Advances on a Decision Analytic Approach to Exposure-Based Chemical Prioritization.

"MS-Ready" structures for non-targeted high-resolution mass spectrometry screening studies.

Using prepared mixtures of ToxCast chemicals to evaluate non-targeted analysis (NTA) method performance.

A Chemical Category-Based Prioritization Approach for Selecting 75 Per- and Polyfluoroalkyl Substances (PFAS) for Tiered Toxicity and Toxicokinetic Testing.

The Next Generation Blueprint of Computational Toxicology at the U.S. Environmental Protection Agency.

Linking in silico MS/MS spectra with chemistry data to improve identification of unknowns.

In silico MS/MS spectra for identifying unknowns: a critical examination using CFM-ID algorithms and ENTACT mixture samples.

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity.

Repurposing Quaternary Ammonium Compounds as Potential Treatments for COVID-19.

Revisiting Five Years of CASMI Contests with EPA Identification Tools.

Open-source QSAR models for pKa prediction using multiple machine learning approaches.

Enabling High-Throughput Searches for Multiple Chemical Data Using the U.S.-EPA CompTox Chemicals Dashboard.

Bioactivity profiling of per- and polyfluoroalkyl substances (PFAS) identifies potential toxicity pathways related to molecular structure.

Sourcing data on chemical properties and hazard data from the US-EPA CompTox Chemicals Dashboard: A practical guide for human risk assessment.

The 2021 update of the EPA's adverse outcome pathway database.

Progress towards an OECD reporting framework for transcriptomics and metabolomics in regulatory toxicology.

Chemical Characterization of Recycled Consumer Products Using Suspect Screening Analysis.

Development and Application of Liquid Chromatographic Retention Time Indices in HRMS-Based Suspect and Nontarget Screening.

Predicting compound amenability with liquid chromatography-mass spectrometry to improve non-targeted analysis.

An Introduction to the Benchmarking and Publications for Non-Targeted Analysis Working Group.

Predicting molecular initiating events using chemical target annotations and gene expression.

A regression-based QSAR-model to predict acute toxicity of aromatic chemicals in tadpoles of the Japanese brown frog (Rana japonica): Calibration, validation, and future developments to support risk assessment of chemicals in amphibians.

Curation of a list of chemicals in biosolids from EPA National Sewage Sludge Surveys & Biennial Review Reports.

Identification of Branched and Linear Forms of PFOA and Potential Precursors: A User-Friendly SMILES Structure-based Approach.

CAS Common Chemistry in 2021: Expanding Access to Trusted Chemical Information for the Scientific Community.

A harmonized chemical monitoring database for support of exposure assessments.

Assembly and Curation of Lists of Per- and Polyfluoroalkyl Substances (PFAS) to Support Environmental Science Research.

Integrative exposomic, transcriptomic, epigenomic analyses of human placental samples links understudied chemicals to preeclampsia.

Systematic evidence map (SEM) template: Report format and methods used for the US EPA Integrated Risk Information System (IRIS) program, Provisional Peer Reviewed Toxicity Value (PPRTV) program, and other "fit for purpose" literature-based human health analyses.

Wikipedia on the CompTox Chemicals Dashboard: Connecting Resources to Enrich Public Chemical Data.

The chemical landscape of high-throughput new approach methodologies for exposure.

Development of a CSRML version of the Analog Identification Methodology (AIM) fragments and their evaluation within the Generalised Read-Across (GenRA) approach.

The use of new approach methodologies for the environmental risk assessment of food and feed chemicals.

Identifying xenobiotic metabolites with prediction tools and LCMS suspect screening analysis.

Demonstrating the Use of Non-targeted Analysis for Identification of Unknown Chemicals in Rapid Response Scenarios.

Standardizing non-targeted analysis reporting to advance exposure science and environmental epidemiology.

A New CSRML Structure-Based Fingerprint Method for Profiling and Categorizing Per- and Polyfluoroalkyl Substances (PFAS).

Corrigendum to "Systematic evidence map (SEM) template: Report format and methods used for the US EPA Integrated Risk Information System (IRIS) program, Provisional Peer Reviewed Toxicity Value (PPRTV) program, and other "fit for purpose" literature-based human health analyses" [Environ. Int. 169 (2022) 107468].

Publisher Correction: Standardizing non-targeted analysis reporting to advance exposure science and environmental epidemiology.

Screening for drinking water contaminants of concern using an automated exposure-focused workflow.

Application of systematic evidence mapping to identify available data on the potential human health hazards of selected market-relevant azo dyes.

Cutting-edge computational chemical exposure research at the U.S. Environmental Protection Agency.

(Non)targeted Chemical Analysis and Risk Assessment of Organic Contaminants in Darkibor Kale Grown at Rural and Urban Farms.

Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling.

Where the rubber meets the road: Emerging environmental impacts of tire wear particles and their chemical cocktails.

Improving predictions of compound amenability for liquid chromatography-mass spectrometry to enhance non-targeted analysis.

Combining Nontargeted Analysis with Computer-Based Hazard Comparison Approaches to Support Prioritization of Unregulated Organic Contaminants in Biosolids.

Introducing 'identification probability' for automated and transferable assessment of metabolite identification confidence in metabolomics and related studies.

A Cheminformatics Workflow to Select Representative TSCA Chemicals for New Approach Methodology (NAM) Screening.

Introducing "Identification Probability" for Automated and Transferable Assessment of Metabolite Identification Confidence in Metabolomics and Related Studies.

NIST Mass Spectral Libraries in the Context of the Circular Economy of Plastics.

Developing Chemical Signatures for Categories of Household Consumer Products Using Suspect Screening Analysis.

Analytical Quality Evaluation of the Tox21 Compound Library.

Integration of new approach methods for the assessment of data-poor chemicals.

Reference Library for Suspect Non-targeted Screening of Environmental Toxicants Using Ion Mobility Spectrometry-Mass Spectrometry.

Multilaboratory Study of a Nontarget Data Acquisition for Target Analysis (nDATA) Workflow Using Ultrahigh-Performance Liquid Chromatography-High-Resolution Mass Spectrometry for the Screening of 1087 Pesticides in Fresh Fruits and Vegetables.

Three pillars for ensuring public access and integrity of chemical databases powering cheminformatics.

The ENTAiLS Toolkit: an integrated workflow to perform non-targeted analysis of per- and polyfluoroalkyl substances.