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List of works by Christopher M Grulke

A Workflow to Investigate Exposure and Pharmacokinetic Influences on High-Throughput in Vitro Chemical Screening Based on Adverse Outcome Pathways

scientific article (publication date: 15 May 2015)

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

scientific article published in November 2016

CERAPP: Collaborative Estrogen Receptor Activity Prediction Project

scientific article published in July 2016

Chembench: a cheminformatics workbench

scientific article published on 30 September 2010

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

scientific article published on 20 April 2020

Developing a Physiologically-Based Pharmacokinetic Model Knowledgebase in Support of Provisional Model Construction

scientific article

Development, validation, and use of quantitative structure-activity relationship models of 5-hydroxytryptamine (2B) receptor ligands to identify novel receptor binders and putative valvulopathic compounds among common drugs

scientific article published in November 2010

High-throughput screening of chemicals as functional substitutes using structure-based classification models

scientific article published on 01 January 2017

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

scientific article published on 29 December 2017

LOCAL KERNEL CANONICAL CORRELATION ANALYSIS WITH APPLICATION TO VIRTUAL DRUG SCREENING.

scientific article published on September 2011

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

scientific article

OPERA models for predicting physicochemical properties and environmental fate endpoints.

scientific article

PROcEED: Probabilistic reverse dosimetry approaches for estimating exposure distributions

scientific article published on 17 July 2013

Predicting in vivo effect levels for repeat-dose systemic toxicity using chemical, biological, kinetic and study covariates

scientific article published on 27 October 2017

Prediction of aquatic toxicity mode of action using linear discriminant and random forest models

scientific article published on 20 August 2013

Rapid experimental measurements of physicochemical properties to inform models and testing

scientific article published on 02 May 2018

Reconstructing exposures from biomarkers using exposure-pharmacokinetic modeling--A case study with carbaryl

scientific article published on 3 November 2015

SHEDS-HT: an integrated probabilistic exposure model for prioritizing exposures to chemicals with near-field and dietary sources

scientific article

Suspect Screening Analysis of Chemicals in Consumer Products

scientific article published on 6 February 2018

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

scientific article

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

scientific article published on 01 June 2019

Toward a blended ontology: applying knowledge systems to compare therapeutic and toxicological nanoscale domains

scientific article published on 6 May 2012

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

scientific article (publication date: 15 August 2016)

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