List of works - Kamel Mansouri

A Qualitative Modeling Approach for Whole Genome Prediction Using High-Throughput Toxicogenomics Data and Pathway-Based Validation

scientific article published on 02 October 2018

A Workflow for Identifying Metabolically Active Chemicals to Complement in vitro Toxicity Screening

scientific article published on 01 May 2018

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

scientific article published on 11 January 2018

A systematic evaluation of analogs and automated read-across prediction of estrogenicity: A case study using hindered phenols

Addressing systematic inconsistencies between in vitro and in vivo transcriptomic mode of action signatures

scientific article published on 23 February 2019

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

scientific article published in November 2016

An integrated chemical environment with tools for chemical safety testing

scientific article published on 14 June 2020

Assessing bioaccumulation of polybrominated diphenyl ethers for aquatic species by QSAR modeling

scientific article published on 16 June 2012

Assessing bioactivity-exposure profiles of fruit and vegetable extracts in the BioMAP profiling system

scientific article published on 12 September 2018

CERAPP: Collaborative Estrogen Receptor Activity Prediction Project

scientific article published in July 2016

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

scientific article published on 07 February 2020

Comparison of different approaches to define the applicability domain of QSAR models.

scientific article published on 25 April 2012

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

article

Docking-based classification models for exploratory toxicology studies on high-quality estrogenic experimental data

scientific article

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

scientific article published on 06 December 2018

Evaluating opportunities for advancing the use of alternative methods in risk assessment through the development of fit-for-purpose in vitro assays.

scientific article

High-Throughput Screening to Predict Chemical-Assay Interference

scientific article published on 04 March 2020

High-throughput in-silico prediction of ionization equilibria for pharmacokinetic modeling

scientific article

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

scientific article published on 22 December 2016

In Silico Study of In Vitro GPCR Assays by QSAR Modeling

scientific article

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

scientific article published on 13 August 2015

InterPred: a webtool to predict chemical autofluorescence and luminescence interference

scientific article published on 18 May 2020

OPERA models for predicting physicochemical properties and environmental fate endpoints.

scientific article

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

scholarly article

Predicting hepatotoxicity using ToxCast in vitro bioactivity and chemical structure

scientific article published on 9 March 2015

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 Estrogenic Bioactivity of Environmental Chemical Metabolites

scientific article published on 10 August 2016

Prediction of acute oral systemic toxicity using a multi-fingerprint similarity approach

article

Predictive Models for Acute Oral Systemic Toxicity: A Workshop to Bridge the Gap from Research to Regulation

article

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

scientific article

Quantitative Structure–Activity Relationship Models for Ready Biodegradability of Chemicals ⬇️

scientific article published on March 27, 2013

Rapid experimental measurements of physicochemical properties to inform models and testing

scientific article published on 02 May 2018

SAR and QSAR modeling of a large collection of LD rat acute oral toxicity data

scientific article published on 30 August 2019

Selecting a minimal set of androgen receptor assays for screening chemicals

scientific article published on 13 August 2020

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

scientific article published on 25 November 2017

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

scientific article

The role of fit-for-purpose assays within tiered testing approaches: A case study evaluating prioritized estrogen-active compounds in an in vitro human uterotrophic assay

scientific article published on 27 November 2019

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

scientific article (publication date: 15 August 2016)

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

article published in 2018

List of works by Kamel Mansouri

A Qualitative Modeling Approach for Whole Genome Prediction Using High-Throughput Toxicogenomics Data and Pathway-Based Validation

A Workflow for Identifying Metabolically Active Chemicals to Complement in vitro Toxicity Screening

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

A systematic evaluation of analogs and automated read-across prediction of estrogenicity: A case study using hindered phenols

Addressing systematic inconsistencies between in vitro and in vivo transcriptomic mode of action signatures

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

An integrated chemical environment with tools for chemical safety testing

Assessing bioaccumulation of polybrominated diphenyl ethers for aquatic species by QSAR modeling

Assessing bioactivity-exposure profiles of fruit and vegetable extracts in the BioMAP profiling system

CERAPP: Collaborative Estrogen Receptor Activity Prediction Project

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

Comparison of different approaches to define the applicability domain of QSAR models.

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

Docking-based classification models for exploratory toxicology studies on high-quality estrogenic experimental data

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

Evaluating opportunities for advancing the use of alternative methods in risk assessment through the development of fit-for-purpose in vitro assays.

High-Throughput Screening to Predict Chemical-Assay Interference

High-throughput in-silico prediction of ionization equilibria for pharmacokinetic modeling

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

In Silico Study of In Vitro GPCR Assays by QSAR Modeling

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

InterPred: a webtool to predict chemical autofluorescence and luminescence interference

OPERA models for predicting physicochemical properties and environmental fate endpoints.

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

Predicting hepatotoxicity using ToxCast in vitro bioactivity and chemical structure

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

Prediction of Estrogenic Bioactivity of Environmental Chemical Metabolites

Prediction of acute oral systemic toxicity using a multi-fingerprint similarity approach

Predictive Models for Acute Oral Systemic Toxicity: A Workshop to Bridge the Gap from Research to Regulation

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

Quantitative Structure–Activity Relationship Models for Ready Biodegradability of Chemicals ⬇️

Rapid experimental measurements of physicochemical properties to inform models and testing

SAR and QSAR modeling of a large collection of LD rat acute oral toxicity data

Selecting a minimal set of androgen receptor assays for screening chemicals

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

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

The role of fit-for-purpose assays within tiered testing approaches: A case study evaluating prioritized estrogen-active compounds in an in vitro human uterotrophic assay

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

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