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Development of a QSAR model to predict hepatic steatosis using freely available machine learning tools

Food and chemical toxicology, 2020-08, Vol.142, p.111494, Article 111494

2020

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Predicting estrogen receptor binding of chemicals using a suite of in silico methods – Complementary approaches of (Q)SAR, molecular docking and molecular dynamics

Toxicology and applied pharmacology, 2019-09, Vol.378, p.114630, Article 114630

2019

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What is the ecotoxicity of a given chemical for a given aquatic species? Predicting interactions between species and chemicals using recommender system techniques

SAR and QSAR in environmental research, 2023-10, Vol.34 (10), p.765-788

2023

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Combined retrospective analysis of 498 rat multi-generation reproductive toxicity studies: On the impact of parameters related to F1 mating and F2 offspring

Reproductive toxicology (Elmsford, N.Y.), 2011-05, Vol.31 (4), p.392-401

2011

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Relative parameter sensitivity in prenatal toxicity studies with substances classified as developmental toxicants

Reproductive toxicology (Elmsford, N.Y.), 2012-09, Vol.34 (2), p.284-290

2012

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In vitro to in vivo extrapolation of effective concentrations in alternative assays for developmental toxicity testing: Application of generic PBK modelling

Toxicology letters, 2018-10, Vol.295, p.S247-S247

2018

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P22-09: Application of Weighted Gene Co-expression Network Analysis as Mode of Action Screening Method for Suspected Non-Genotoxic Carcinogens Inducing Oxidative Stress

Toxicology letters, 2023-09, Vol.384, p.S247-S247

2023

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The MCRA toolbox of models and data to support chemical mixture risk assessment

Food and chemical toxicology, 2020-04, Vol.138, p.111185-111185, Article 111185

2020

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Evaluation of an alternative in vitro test battery for detecting reproductive toxicants in a grouping context

Reproductive toxicology (Elmsford, N.Y.), 2015-08, Vol.55, p.11-19

2015

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Evaluation and application of models for the prediction of ready biodegradability in the MITI-I test

Chemosphere (Oxford), 1999-03, Vol.38 (6), p.1409-1417

1999

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OC/EFSA/SCER/2014/02‐Lot 2 “Specialised training courses on certain aspects of food safety risk assessment for members of EFSA's Scientific Committee/Panels and their working groups, open to EFSA staff” –final report

EFSA supporting publications, 2017-12, Vol.14 (12), p.n/a

2017

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Prediction of biodegradability from structure: Imidazoles

SAR and QSAR in environmental research, 2002-03, Vol.13 (1), p.199-204

2002

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Structural requirements for anaerobic biodegradation of organic chemicals: A fragment model analysis

Environmental toxicology and chemistry, 1998-10, Vol.17 (10), p.1943-1950

1998

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Computer-assisted evaluation of anaerobic biodegradation products

Pure and applied chemistry, 1998-07, Vol.70 (7), p.1385-1394

1998

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Retrospective analysis of relative parameter sensitivity in multi-generation reproductive toxicity studies

Reproductive toxicology (Elmsford, N.Y.), 2009-09, Vol.28 (2), p.196-202

2009

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Structure-specificity relationships for haloalkane dehalogenases

Environmental toxicology and chemistry, 2001-12, Vol.20 (12), p.2681-2689

2001

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QSARs for oxidation of phenols in the aqueous environment, suitable for risk assessment

Journal of chemometrics, 1996-03, Vol.10 (2), p.79-93

1996

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Prediction of biodegradability from chemical structure: Modeling of ready biodegradation test data

Environmental toxicology and chemistry, 1999-08, Vol.18 (8), p.1763-1768

1999

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On the Usefulness and Reliability of Existing QSBRs for Risk Assessment and Priority Setting

SAR and QSAR in environmental research, 1996-01, Vol.5 (1), p.1-16

1996

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Modeling Reductive Dehalogenation with Quantum Chemically Derived Descriptors

SAR and QSAR in environmental research, 1995-12, Vol.4 (4), p.237-252

1995

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On the Use of Backpropagation Neural Networks in Modeling Environmental Degradation

SAR and QSAR in environmental research, 1995-12, Vol.4 (4), p.219-235

1995

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Data quality assessment for in silico methods: A survey of approaches and needs

In Silico Toxicology: Principles and applications, 2010

2010

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Modeling the nucleophilic reactivity of small organochlorine electrophiles: A mechanistically based quantitative structure-activity relationship

Environmental toxicology and chemistry, 1996-06, Vol.15 (6), p.1011-1018

1996

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Predicting reductive transformation rates of halogenated aliphatic compounds using different QSAR approaches

Environmental science and pollution research international, 1997-01, Vol.4 (1), p.47-54

1997

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High-salt intake affects retinal vascular tortuosity in healthy males: an exploratory randomized cross-over trial

Scientific reports, 2021-01, Vol.11 (1), p.801-801, Article 801

2021

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Development of a QSAR model to predict hepatic steatosis using freely available machine learning tools

Predicting estrogen receptor binding of chemicals using a suite of in silico methods – Complementary approaches of (Q)SAR, molecular docking and molecular dynamics

What is the ecotoxicity of a given chemical for a given aquatic species? Predicting interactions between species and chemicals using recommender system techniques

Combined retrospective analysis of 498 rat multi-generation reproductive toxicity studies: On the impact of parameters related to F1 mating and F2 offspring

Relative parameter sensitivity in prenatal toxicity studies with substances classified as developmental toxicants

In vitro to in vivo extrapolation of effective concentrations in alternative assays for developmental toxicity testing: Application of generic PBK modelling

P22-09: Application of Weighted Gene Co-expression Network Analysis as Mode of Action Screening Method for Suspected Non-Genotoxic Carcinogens Inducing Oxidative Stress

The MCRA toolbox of models and data to support chemical mixture risk assessment

Evaluation of an alternative in vitro test battery for detecting reproductive toxicants in a grouping context

Evaluation and application of models for the prediction of ready biodegradability in the MITI-I test

OC/EFSA/SCER/2014/02‐Lot 2 “Specialised training courses on certain aspects of food safety risk assessment for members of EFSA's Scientific Committee/Panels and their working groups, open to EFSA staff” –final report

Prediction of biodegradability from structure: Imidazoles

Structural requirements for anaerobic biodegradation of organic chemicals: A fragment model analysis

Computer-assisted evaluation of anaerobic biodegradation products

Retrospective analysis of relative parameter sensitivity in multi-generation reproductive toxicity studies

Structure-specificity relationships for haloalkane dehalogenases

QSARs for oxidation of phenols in the aqueous environment, suitable for risk assessment

Prediction of biodegradability from chemical structure: Modeling of ready biodegradation test data

On the Usefulness and Reliability of Existing QSBRs for Risk Assessment and Priority Setting

Modeling Reductive Dehalogenation with Quantum Chemically Derived Descriptors

On the Use of Backpropagation Neural Networks in Modeling Environmental Degradation

Data quality assessment for in silico methods: A survey of approaches and needs

Modeling the nucleophilic reactivity of small organochlorine electrophiles: A mechanistically based quantitative structure-activity relationship

Predicting reductive transformation rates of halogenated aliphatic compounds using different QSAR approaches

High-salt intake affects retinal vascular tortuosity in healthy males: an exploratory randomized cross-over trial

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