CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

Machine Learning Consensus To Predict the Binding to the Androgen Receptor within the CoMPARA Project

(2019) Francesca Grisoni et al.   Journal of Chemical Information and Modeling

Multivariate comparison of classification performance measures

(2018) Davide Ballabio et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

OPERA models for predicting physicochemical properties and environmental fate endpoints

(2018) Kamel Mansouri et al.   Journal of Cheminformatics

Evaluation of androgen assay results using a curated Hershberger database

(2018) N.C. Kleinstreuer et al.   REPRODUCTIVE TOXICOLOGY

Development of a curated Hershberger database

(2018) P. Browne et al.   REPRODUCTIVE TOXICOLOGY

“MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studies

(2018) Andrew D. McEachran et al.   Journal of Cheminformatics

Development, validation and integration of in silico models to identify androgen active chemicals

(2018) Serena Manganelli et al.   CHEMOSPHERE

Predictive Structure-Based Toxicology Approaches To Assess the Androgenic Potential of Chemicals

(2017) Daniela Trisciuzzi et al.   Journal of Chemical Information and Modeling

High-Throughput H295R Steroidogenesis Assay: Utility as an Alternative and a Statistical Approach to Characterize Effects on Steroidogenesis

(2017) Derik E Haggard et al.   TOXICOLOGICAL SCIENCES

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

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

ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics

(2017) Jiangming Sun et al.   Journal of Cheminformatics

Prediction of Estrogenic Bioactivity of Environmental Chemical Metabolites

(2016) Caroline L. Pinto et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Conformal Prediction Classification of a Large Data Set of Environmental Chemicals from ToxCast and Tox21 Estrogen Receptor Assays

(2016) Ulf Norinder et al.   CHEMICAL RESEARCH IN TOXICOLOGY

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

Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation

(2016) Denis Fourches et al.   Journal of Chemical Information and Modeling

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

High-Throughput Screening of Chemical Effects on Steroidogenesis Using H295R Human Adrenocortical Carcinoma Cells

(2016) Agnes L. Karmaus et al.   TOXICOLOGICAL SCIENCES

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

Toward Good Read-Across Practice (GRAP) guidance

(2016) Nicholas Ball   ALTEX-Alternatives to Animal Experimentation

A Curated Database of Rodent Uterotrophic Bioactivity

(2015) Nicole C. Kleinstreuer et al.   ENVIRONMENTAL HEALTH PERSPECTIVES

N3 and BNN: Two New Similarity Based Classification Methods in Comparison with Other Classifiers

(2015) Roberto Todeschini et al.   Journal of Chemical Information and Modeling

Integrated Model of Chemical Perturbations of a Biological Pathway Using 18In VitroHigh-Throughput Screening Assays for the Estrogen Receptor

(2015) Richard S. Judson et al.   TOXICOLOGICAL SCIENCES

In Vitroand Modelling Approaches to Risk Assessment from the U.S. Environmental Protection Agency ToxCast Programme

(2014) Richard Judson et al.   BASIC & CLINICAL PHARMACOLOGY & TOXICOLOGY

Assessing the Validity of QSARs for Ready Biodegradability of Chemicals: An Applicability Domain Perspective

(2014) Faizan Sahigara et al.   Current Computer-Aided Drug Design

A New Approach to Radial Basis Function Approximation and Its Application to QSAR

(2014) Alexey V. Zakharov et al.   Journal of Chemical Information and Modeling

Drug Discovery Applications for KNIME: An Open Source Data Mining Platform

(2013) Michael P. Mazanetz et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Improving the Human Hazard Characterization of Chemicals: A Tox21 Update

(2013) Raymond R. Tice et al.   ENVIRONMENTAL HEALTH PERSPECTIVES

Update on EPA’s ToxCast Program: Providing High Throughput Decision Support Tools for Chemical Risk Management

(2012) Robert Kavlock et al.   CHEMICAL RESEARCH IN TOXICOLOGY

A quality alert and call for improved curation of public chemistry databases

(2011) Antony J. Williams et al.   DRUG DISCOVERY TODAY

The Exposure of Fetuses and Children to Endocrine Disrupting Chemicals: A European Society for Paediatric Endocrinology (ESPE) and Pediatric Endocrine Society (PES) Call to Action Statement

(2011) Niels E. Skakkebaek et al.   JOURNAL OF CLINICAL ENDOCRINOLOGY & METABOLISM

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

(2011) Iurii Sushko et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

QSAR Modelling of Rat Acute Toxicity on the Basis of PASS Prediction

(2011) Alexey Lagunin et al.   Molecular Informatics

The exposure data landscape for manufactured chemicals

(2011) Peter P. Egeghy et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Impact of Environmental Chemicals on Key Transcription Regulators and Correlation to Toxicity End Points within EPA’s ToxCast Program

(2010) Matthew T. Martin et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Endocrine Disrupting Chemicals Targeting Estrogen Receptor Signaling: Identification and Mechanisms of Action

(2010) Erin K. Shanle et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Genetic Algorithms for architecture optimisation of Counter-Propagation Artificial Neural Networks

(2010) Davide Ballabio et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research

(2010) Denis Fourches et al.   Journal of Chemical Information and Modeling

PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints

(2010) Chun Wei Yap   JOURNAL OF COMPUTATIONAL CHEMISTRY

Incorporating Human Dosimetry and Exposure into High-Throughput In Vitro Toxicity Screening

(2010) Daniel M. Rotroff et al.   TOXICOLOGICAL SCIENCES

Endocrine-Disrupting Chemicals: An Endocrine Society Scientific Statement

(2009) Evanthia Diamanti-Kandarakis et al.   ENDOCRINE REVIEWS

How not to develop a quantitative structure–activity or structure–property relationship (QSAR/QSPR)

(2009) J.C. Dearden et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

QNA-based ‘Star Track’ QSAR approach

(2009) D.A. Filimonov et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

The Toxicity Data Landscape for Environmental Chemicals

(2008) Richard Judson et al.   ENVIRONMENTAL HEALTH PERSPECTIVES

A Hierarchical Clustering Methodology for the Estimation of Toxicity

(2008) Todd M. Martin et al.   TOXICOLOGY MECHANISMS AND METHODS