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

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

(2021) Charles N. Lowe et al.   Journal of Chemical Information and Modeling

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

(2020) Alex Chao et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

(2020) Kamel Mansouri et al.   ENVIRONMENTAL HEALTH PERSPECTIVES

Database of pharmacokinetic time-series data and parameters for 144 environmental chemicals

(2020) Risa R. Sayre et al.   Scientific Data

Revisiting Five Years of CASMI Contests with EPA Identification Tools

(2020) Andrew D. McEachran et al.   Metabolites

The Alginate Immobilization of Metabolic Enzymes (AIME) Platform Retrofits an Estrogen Receptor Transactivation Assay with Metabolic Competence

(2020) Chad Deisenroth et al.   TOXICOLOGICAL SCIENCES

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

(2019) Jon R. Sobus et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

The next generation blueprint of computational toxicology at the U.S. Environmental Protection Agency

(2019) Russell S Thomas et al.   TOXICOLOGICAL SCIENCES

Assessing Toxicokinetic Uncertainty and Variability in Risk Prioritization

(2019) John F Wambaugh et al.   TOXICOLOGICAL SCIENCES

Utility of In Vitro Bioactivity as a Lower Bound Estimate of In Vivo Adverse Effect Levels and in Risk-Based Prioritization

(2019) Katie Paul Friedman et al.   TOXICOLOGICAL SCIENCES

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

(2019) Andrew D. McEachran et al.   Scientific Data

ToxRefDB version 2.0: Improved utility for predictive and retrospective toxicology analyses

(2019) Sean Watford et al.   REPRODUCTIVE TOXICOLOGY

Incorporating new approach methodologies in toxicity testing and exposure assessment for tiered risk assessment using the RISK21 approach: Case studies on food contact chemicals

(2019) Alexandra E. Turley et al.   FOOD AND CHEMICAL TOXICOLOGY

Suspect screening and non-targeted analysis of drinking water using point-of-use filters

(2018) Seth R. Newton et al.   ENVIRONMENTAL POLLUTION

In vitro to in vivo extrapolation for high throughput prioritization and decision making

(2018) Shannon M. Bell et al.   TOXICOLOGY IN VITRO

EPA’s non-targeted analysis collaborative trial (ENTACT): genesis, design, and initial findings

(2018) Elin M. Ulrich et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

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

(2017) Jon R. Sobus et al.   Journal of Exposure Science and Environmental Epidemiology

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

(2017) Antony J. Williams et al.   Journal of Cheminformatics

tcpl: the ToxCast pipeline for high-throughput screening data

(2016) Dayne L. Filer et al.   BIOINFORMATICS

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

(2016) Ann M. Richard et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Development and Validation of a Computational Model for Androgen Receptor Activity

(2016) Nicole C. Kleinstreuer et al.   CHEMICAL RESEARCH IN TOXICOLOGY

CERAPP: Collaborative Estrogen Receptor Activity Prediction Project

(2016) Kamel Mansouri et al.   ENVIRONMENTAL HEALTH PERSPECTIVES

Systematically evaluating read-across prediction and performance using a local validity approach characterized by chemical structure and bioactivity information

(2016) Imran Shah et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modelling$

(2016) K. Mansouri et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Editor's Highlight: Analysis of the Effects of Cell Stress and Cytotoxicity onIn VitroAssay Activity Across a Diverse Chemical and Assay Space

(2016) Richard Judson et al.   TOXICOLOGICAL SCIENCES

Screening Chemicals for Estrogen Receptor Bioactivity Using a Computational Model

(2015) Patience Browne et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

New Publicly Available Chemical Query Language, CSRML, To Support Chemotype Representations for Application to Data Mining and Modeling

(2015) Chihae Yang et al.   Journal of Chemical Information and Modeling

Toxicokinetic Triage for Environmental Chemicals

(2015) John F. Wambaugh et al.   TOXICOLOGICAL SCIENCES

Integration of Dosimetry, Exposure, and High-Throughput Screening Data in Chemical Toxicity Assessment

(2011) Barbara A. Wetmore et al.   TOXICOLOGICAL SCIENCES

In Vitro Screening of Environmental Chemicals for Targeted Testing Prioritization: The ToxCast Project

(2009) Richard S. Judson et al.   ENVIRONMENTAL HEALTH PERSPECTIVES

Profiling Chemicals Based on Chronic Toxicity Results from the U.S. EPA ToxRef Database

(2008) Matthew T. Martin et al.   ENVIRONMENTAL HEALTH PERSPECTIVES

ACToR — Aggregated Computational Toxicology Resource

(2008) Richard Judson et al.   TOXICOLOGY AND APPLIED PHARMACOLOGY

Acutoxbase, an innovative database for in vitro acute toxicity studies

(2008) Agnieszka Kinsner-Ovaskainen et al.   TOXICOLOGY IN VITRO