Related references
Note: Only part of the references are listed.Machine Learning Consensus To Predict the Binding to the Androgen Receptor within the CoMPARA Project
Francesca Grisoni et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2019)
Development, validation and integration of in silico models to identify androgen active chemicals
Serena Manganelli et al.
CHEMOSPHERE (2019)
High-Throughput H295R Steroidogenesis Assay: Utility as an Alternative and a Statistical Approach to Characterize Effects on Steroidogenesis
Derik E. Haggard et al.
TOXICOLOGICAL SCIENCES (2018)
Multivariate comparison of classification performance measures
Davide Ballabio et al.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS (2018)
OPERA models for predicting physicochemical properties and environmental fate endpoints
Kamel Mansouri et al.
JOURNAL OF CHEMINFORMATICS (2018)
Evaluation of androgen assay results using a curated Hershberger database
N. C. Kleinstreuer et al.
REPRODUCTIVE TOXICOLOGY (2018)
Development of a curated Hershberger database
P. Browne et al.
REPRODUCTIVE TOXICOLOGY (2018)
MS-Ready structures for non-targeted high-resolution mass spectrometry screening studies
Andrew D. McEachran et al.
JOURNAL OF CHEMINFORMATICS (2018)
Development and Validation of a Computational Model for Androgen Receptor Activity
Nicole C. Kleinstreuer et al.
CHEMICAL RESEARCH IN TOXICOLOGY (2017)
Predictive Structure-Based Toxicology Approaches To Assess the Androgenic Potential of Chemicals
Daniela Trisciuzzi et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2017)
The CompTox Chemistry Dashboard: a community data resource for environmental chemistry
Antony J. Williams et al.
JOURNAL OF CHEMINFORMATICS (2017)
ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics
Jiangming Sun et al.
JOURNAL OF CHEMINFORMATICS (2017)
A Curated Database of Rodent Uterotrophic Bioactivity
Nicole C. Kleinstreuer et al.
ENVIRONMENTAL HEALTH PERSPECTIVES (2016)
Prediction of Estrogenic Bioactivity of Environmental Chemical Metabolites
Caroline L. Pinto et al.
CHEMICAL RESEARCH IN TOXICOLOGY (2016)
Conformal Prediction Classification of a Large Data Set of Environmental Chemicals from ToxCast and Tox21 Estrogen Receptor Assays
Ulf Norinder et al.
CHEMICAL RESEARCH IN TOXICOLOGY (2016)
ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology
Ann M. Richard et al.
CHEMICAL RESEARCH IN TOXICOLOGY (2016)
CERAPP: Collaborative Estrogen Receptor Activity Prediction Project
Kamel Mansouri et al.
ENVIRONMENTAL HEALTH PERSPECTIVES (2016)
Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation
Denis Fourches et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2016)
An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modelling
K. Mansouri et al.
SAR AND QSAR IN ENVIRONMENTAL RESEARCH (2016)
High-Throughput Screening of Chemical Effects on Steroidogenesis Using H295R Human Adrenocortical Carcinoma Cells
Agnes L. Karmaus et al.
TOXICOLOGICAL SCIENCES (2016)
Analysis of the Effects of Cell Stress and Cytotoxicity on In Vitro Assay Activity Across a Diverse Chemical and Assay Space (vol 152, pg 323, 2016)
Richard Judson et al.
TOXICOLOGICAL SCIENCES (2016)
Toward Good Read-Across Practice (GRAP) Guidance
Nicholas Ball et al.
ALTEX-ALTERNATIVES TO ANIMAL EXPERIMENTATION (2016)
N3 and BNN: Two New Similarity Based Classification Methods in Comparison with Other Classifiers
Roberto Todeschini et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2015)
Integrated Model of Chemical Perturbations of a Biological Pathway Using 18 In Vitro High-Throughput Screening Assays for the Estrogen Receptor
Richard S. Judson et al.
TOXICOLOGICAL SCIENCES (2015)
Exploring consumer exposure pathways and patterns of use for chemicals in the environment
Kathie L. Dionisio et al.
TOXICOLOGY REPORTS (2015)
In Vitro and Modelling Approaches to Risk Assessment from the US Environmental Protection Agency ToxCast Programme
Richard Judson et al.
BASIC & CLINICAL PHARMACOLOGY & TOXICOLOGY (2014)
Assessing the Validity of QSARs for Ready Biodegradability of Chemicals: An Applicability Domain Perspective
Faizan Sahigara et al.
CURRENT COMPUTER-AIDED DRUG DESIGN (2014)
A New Approach to Radial Basis Function Approximation and Its Application to QSAR
Alexey V. Zakharov et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)
Drug Discovery Applications for KNIME: An Open Source Data Mining Platform
Michael P. Mazanetz et al.
CURRENT TOPICS IN MEDICINAL CHEMISTRY (2013)
Improving the Human Hazard Characterization of Chemicals: A Tox21 Update
Raymond R. Tice et al.
ENVIRONMENTAL HEALTH PERSPECTIVES (2013)
Update on EPA's ToxCast Program: Providing High Throughput Decision Support Tools for Chemical Risk Management
Robert Kavlock et al.
CHEMICAL RESEARCH IN TOXICOLOGY (2012)
The exposure data landscape for manufactured chemicals
Peter P. Egeghy et al.
SCIENCE OF THE TOTAL ENVIRONMENT (2012)
Endocrine Disrupting Chemicals Targeting Estrogen Receptor Signaling: Identification and Mechanisms of Action
Erin K. Shanle et al.
CHEMICAL RESEARCH IN TOXICOLOGY (2011)
Genetic Algorithms for architecture optimisation of Counter-Propagation Artificial Neural Networks
Davide Ballabio et al.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS (2011)
A quality alert and call for improved curation of public chemistry databases
Antony J. Williams et al.
DRUG DISCOVERY TODAY (2011)
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
Niels E. Skakkebaek et al.
JOURNAL OF CLINICAL ENDOCRINOLOGY & METABOLISM (2011)
PaDEL-Descriptor: An Open Source Software to Calculate Molecular Descriptors and Fingerprints
Chun Wei Yap
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
Iurii Sushko et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2011)
QSAR Modelling of Rat Acute Toxicity on the Basis of PASS Prediction
Alexey Lagunin et al.
MOLECULAR INFORMATICS (2011)
Impact of Environmental Chemicals on Key Transcription Regulators and Correlation to Toxicity End Points within EPA's ToxCast Program
Matthew T. Martin et al.
CHEMICAL RESEARCH IN TOXICOLOGY (2010)
Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research
Denis Fourches et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2010)
Incorporating Human Dosimetry and Exposure into High-Throughput In Vitro Toxicity Screening
Daniel M. Rotroff et al.
TOXICOLOGICAL SCIENCES (2010)
Endocrine-Disrupting Chemicals: An Endocrine Society Scientific Statement
Evanthia Diamanti-Kandarakis et al.
ENDOCRINE REVIEWS (2009)
The Toxicity Data Landscape for Environmental Chemicals
Richard Judson et al.
ENVIRONMENTAL HEALTH PERSPECTIVES (2009)
How not to develop a quantitative structure-activity or structure-property relationship (QSAR/QSPR)
J. C. Dearden et al.
SAR AND QSAR IN ENVIRONMENTAL RESEARCH (2009)
QNA-based 'Star Track' QSAR approach
D. A. Filimonov et al.
SAR AND QSAR IN ENVIRONMENTAL RESEARCH (2009)
A hierarchical clustering methodology for the estimation of toxicity
Todd M. Martin et al.
TOXICOLOGY MECHANISMS AND METHODS (2008)
DrugBank: a knowledgebase for drugs, drug actions and drug targets
David S. Wishart et al.
NUCLEIC ACIDS RESEARCH (2008)
An in silico ensemble method for lead discovery:: decision forest
H Hong et al.
SAR AND QSAR IN ENVIRONMENTAL RESEARCH (2005)
Decision forest analysis of 61 single nucleotide polymorphisms in a case-control study of esophageal cancer; a novel method
Q Xie et al.
BMC BIOINFORMATICS (2005)
Multiclass decision forest - A novel pattern recognition method for multiclass classification in microarray data analysis
HX Hong et al.
DNA AND CELL BIOLOGY (2004)
Decision forest: Combining the predictions of multiple independent decision tree models
WD Tong et al.
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2003)
Associative neural network
IV Tetko
NEURAL PROCESSING LETTERS (2002)
Application of associative neural networks for prediction of lipophilicity in ALOGPS 2.1 program
IV Tetko et al.
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2002)
Distributed structure-searchable toxicity (DSSTox) public database network: a proposal
AM Richard et al.
MUTATION RESEARCH-FUNDAMENTAL AND MOLECULAR MECHANISMS OF MUTAGENESIS (2002)
PLS-regression:: a basic tool of chemometrics
S Wold et al.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS (2001)