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A Review of In Silico Tools as Alternatives to Animal Testing: Principles, Resources and Applications

Alternatives to Laboratory Animals, 2020-07, Vol.48 (4), p.146-172

2020

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Comment from the New Editor-in-Chief: A Journey to Replacement and the Inevitable Question

Alternatives to laboratory animals, 2020-05, Vol.48 (3), p.104-105

Madden, Judith C.

2020

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Quantitative adverse outcome pathway (qAOP) models for toxicity prediction

Archives of toxicology, 2020-05, Vol.94 (5), p.1497-1510

2020

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In Silico Toxicology Data Resources to Support Read-Across and (Q)SAR

Frontiers in pharmacology, 2019-06, Vol.10, p.561

2019

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Application of in silico and in vitro methods in the development of adverse outcome pathway constructs in wildlife

Philosophical transactions of the Royal Society of London. Series B. Biological sciences, 2014-11, Vol.369 (1656), p.20130584

2014

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Development and analysis of an adverse outcome pathway network for human neurotoxicity

Archives of toxicology, 2019-10, Vol.93 (10), p.2759-2772

2019

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Comparative metabolism as a key driver of wildlife species sensitivity to human and veterinary pharmaceuticals

Philosophical transactions of the Royal Society of London. Series B. Biological sciences, 2014-11, Vol.369 (1656), p.20130583

2014

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Pharmacokinetic Tools and Applications

Methods in molecular biology (Clifton, N.J.), 2022, Vol.2425, p.57

2022

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Measurement and Estimation of Electrophilic Reactivity for Predictive Toxicology

Chemical reviews, 2011-04, Vol.111 (4), p.2562-2596

2011

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Prediction of Michael-Type Acceptor Reactivity toward Glutathione

Chemical research in toxicology, 2010-10, Vol.23 (10), p.1576-1585

2010

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Determination of “fitness-for-purpose” of quantitative structure-activity relationship (QSAR) models to predict (eco-)toxicological endpoints for regulatory use

Regulatory toxicology and pharmacology, 2021-07, Vol.123, p.104956-104956, Article 104956

2021

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Making in silico predictive models for toxicology FAIR

Regulatory toxicology and pharmacology, 2023-05, Vol.140, p.105385-105385, Article 105385

2023

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Adverse Outcome Pathway (AOP) Informed Modeling of Aquatic Toxicology: QSARs, Read-Across, and Interspecies Verification of Modes of Action

Environmental science & technology, 2016-04, Vol.50 (7), p.3995-4007

2016

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A Systematic Review of Published Physiologically-based Kinetic Models and an Assessment of their Chemical Space Coverage

Alternatives to Laboratory Animals, 2021-09, Vol.49 (5), p.197-208

2021

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Investigation of the Verhaar scheme for predicting acute aquatic toxicity: Improving predictions obtained from Toxtree ver. 2.6

Chemosphere (Oxford), 2015-11, Vol.139, p.146-154

2015

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Linking existing in vitro dermal absorption data to physicochemical properties: Contribution to the design of a weight-of-evidence approach for the safety evaluation of cosmetic ingredients with low dermal bioavailability

Regulatory toxicology and pharmacology, 2016-04, Vol.76, p.74-78

2016

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Quantitative and Mechanistic Read Across for Predicting the Skin Sensitization Potential of Alkenes Acting via Michael Addition

Chemical research in toxicology, 2008-02, Vol.21 (2), p.513-520

2008

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Predicting protein-ligand binding affinity and correcting crystal structures with quantum mechanical calculations: lactate dehydrogenase A

Chemical science (Cambridge), 2019-02, Vol.10 (7), p.2218-2227

2019

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Assessment and Reproducibility of Quantitative Structure–Activity Relationship Models by the Nonexpert

Journal of chemical information and modeling, 2018-03, Vol.58 (3), p.673-682

2018

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Assessing the exposure risk and impacts of pharmaceuticals in the environment on individuals and ecosystems

Biology letters (2005), 2013-08, Vol.9 (4), p.20130492-20130492

2013

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Using Read-Across to build Physiologically-Based Kinetic models: Part 2. Case studies for atenolol and flumioxazin

Computational toxicology, 2024-03, Vol.29, p.100293, Article 100293

2024

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Pharmaceuticals in the environment: Good practice in predicting acute ecotoxicological effects

Toxicology letters, 2009-03, Vol.185 (2), p.85-101

2009

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Development of an in Silico Profiler for Mitochondrial Toxicity

Chemical research in toxicology, 2015-10, Vol.28 (10), p.1891-1902

2015

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In silico toxicology: principles and applications.

1, 2010

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Ensuring confidence in predictions: A scheme to assess the scientific validity of in silico models

Advanced drug delivery reviews, 2015-06, Vol.86, p.101-111

2015

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A Review of In Silico Tools as Alternatives to Animal Testing: Principles, Resources and Applications

Comment from the New Editor-in-Chief: A Journey to Replacement and the Inevitable Question

Quantitative adverse outcome pathway (qAOP) models for toxicity prediction

In Silico Toxicology Data Resources to Support Read-Across and (Q)SAR

Application of in silico and in vitro methods in the development of adverse outcome pathway constructs in wildlife

Development and analysis of an adverse outcome pathway network for human neurotoxicity

Comparative metabolism as a key driver of wildlife species sensitivity to human and veterinary pharmaceuticals

Pharmacokinetic Tools and Applications

Measurement and Estimation of Electrophilic Reactivity for Predictive Toxicology

Prediction of Michael-Type Acceptor Reactivity toward Glutathione

Determination of “fitness-for-purpose” of quantitative structure-activity relationship (QSAR) models to predict (eco-)toxicological endpoints for regulatory use

Making in silico predictive models for toxicology FAIR

Adverse Outcome Pathway (AOP) Informed Modeling of Aquatic Toxicology: QSARs, Read-Across, and Interspecies Verification of Modes of Action

A Systematic Review of Published Physiologically-based Kinetic Models and an Assessment of their Chemical Space Coverage

Investigation of the Verhaar scheme for predicting acute aquatic toxicity: Improving predictions obtained from Toxtree ver. 2.6

Linking existing in vitro dermal absorption data to physicochemical properties: Contribution to the design of a weight-of-evidence approach for the safety evaluation of cosmetic ingredients with low dermal bioavailability

Quantitative and Mechanistic Read Across for Predicting the Skin Sensitization Potential of Alkenes Acting via Michael Addition

Predicting protein-ligand binding affinity and correcting crystal structures with quantum mechanical calculations: lactate dehydrogenase A

Assessment and Reproducibility of Quantitative Structure–Activity Relationship Models by the Nonexpert

Assessing the exposure risk and impacts of pharmaceuticals in the environment on individuals and ecosystems

Using Read-Across to build Physiologically-Based Kinetic models: Part 2. Case studies for atenolol and flumioxazin

Pharmaceuticals in the environment: Good practice in predicting acute ecotoxicological effects

Development of an in Silico Profiler for Mitochondrial Toxicity

In silico toxicology: principles and applications.

Ensuring confidence in predictions: A scheme to assess the scientific validity of in silico models

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