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QSAR Modeling of ToxCast Assays Relevant to the Molecular Initiating Events of AOPs Leading to Hepatic Steatosis

Journal of chemical information and modeling, 2018-08, Vol.58 (8), p.1501-1517

2018

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CERAPP: Collaborative Estrogen Receptor Activity Prediction Project

Environmental health perspectives, 2016-07, Vol.124 (7), p.1023-1033

2016

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A KNIME Workflow to Assist the Analogue Identification for Read-Across, Applied to Aromatase Activity

Molecules (Basel, Switzerland), 2023-02, Vol.28 (4), p.1832

2023

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Using the Correlation Intensity Index to Build a Model of Cardiotoxicity of Piperidine Derivatives

Molecules (Basel, Switzerland), 2023-09, Vol.28 (18), p.6587

2023

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SAR and QSAR modeling of a large collection of LD50 rat acute oral toxicity data

Journal of cheminformatics, 2019-08, Vol.11 (1), p.1-16, Article 58

2019

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Prediction of the Neurotoxic Potential of Chemicals Based on Modelling of Molecular Initiating Events Upstream of the Adverse Outcome Pathways of (Developmental) Neurotoxicity

International journal of molecular sciences, 2022-03, Vol.23 (6), p.3053

2022

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The System of Self-Consistent Models: The Case of Henry’s Law Constants

Molecules (Basel, Switzerland), 2023-10, Vol.28 (20), p.7231

2023

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The validation of predictive potential via the system of self-consistent models: the simulation of blood–brain barrier permeation of organic compounds

Journal of molecular modeling, 2023-07, Vol.29 (7), p.218-218, Article 218

2023

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QSAR Models for Human Carcinogenicity: An Assessment Based on Oral and Inhalation Slope Factors

Molecules (Basel, Switzerland), 2020-12, Vol.26 (1), p.127

2020

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Ligand-based prediction of hERG-mediated cardiotoxicity based on the integration of different machine learning techniques

Frontiers in pharmacology, 2022-09, Vol.13, p.951083-951083

2022

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The VEGA Tool to Check the Applicability Domain Gives Greater Confidence in the Prediction of In Silico Models

International journal of molecular sciences, 2023-06, Vol.24 (12), p.9894

2023

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Quantitative Structure-Activity Relationship Modeling of the Amplex Ultrared Assay to Predict Thyroperoxidase Inhibitory Activity

Frontiers in pharmacology, 2021-08, Vol.12, p.713037-713037

2021

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Artificial Intelligence and Machine Learning Methods to Evaluate Cardiotoxicity following the Adverse Outcome Pathway Frameworks

Toxics (Basel), 2024-01, Vol.12 (1), p.87

2024

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Prediction of Endocrine-Disrupting Chemicals Related to Estrogen, Androgen, and Thyroid Hormone (EAT) Modalities Using Transcriptomics Data and Machine Learning

Toxics (Basel), 2024-07, Vol.12 (8), p.541

2024

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Quantitative Structure–Activity Relationship Models for the Angiotensin-Converting Enzyme Inhibitory Activities of Short-Chain Peptides of Goat Milk Using Quasi-SMILES

Macromol, 2024-06, Vol.4 (2), p.387-400

2024

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The System of Self-Consistent Models: QSAR Analysis of Drug-Induced Liver Toxicity

Toxics (Basel), 2023-04, Vol.11 (5), p.419

2023

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Semi-Correlations for Building Up a Simulation of Eye Irritation

Toxics (Basel), 2023-12, Vol.11 (12), p.993

2023

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Models for the No-Observed-Effect Concentration (NOEC) and Maximal Half-Effective Concentration (EC50)

Toxics (Basel), 2024-06, Vol.12 (6), p.425

2024

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CORAL Models for Drug-Induced Nephrotoxicity

Toxics (Basel), 2023-03, Vol.11 (4), p.293

2023

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Evaluating confidence in toxicity assessments based on experimental data and in silico predictions

Computational toxicology, 2022-02, Vol.21, p.100204, Article 100204

2022

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Evaluating the applicability domain in the case of classification predictive models for carcinogenicity based on the counter propagation artificial neural network

Journal of computer-aided molecular design, 2011-12, Vol.25 (12), p.1147-1158

2011

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Variable Selection and Interpretation in Structure−Affinity Correlation Modeling of Estrogen Receptor Binders

Journal of chemical information and modeling, 2005-11, Vol.45 (6), p.1507-1519

2005

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The VEGAHUB Platform: The Philosophy and the Tools

Alternatives to Laboratory Animals, 2022-03, Vol.50 (2), p.121-135

2022

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In Silico Methods for Carcinogenicity Assessment

Methods in molecular biology (Clifton, N.J.), 2022, Vol.2425, p.201

2022

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The system of self-consistent models for vapour pressure

Chemical physics letters, 2022-03, Vol.790, p.139354, Article 139354

2022

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QSAR Modeling of ToxCast Assays Relevant to the Molecular Initiating Events of AOPs Leading to Hepatic Steatosis

CERAPP: Collaborative Estrogen Receptor Activity Prediction Project

A KNIME Workflow to Assist the Analogue Identification for Read-Across, Applied to Aromatase Activity

Using the Correlation Intensity Index to Build a Model of Cardiotoxicity of Piperidine Derivatives

SAR and QSAR modeling of a large collection of LD50 rat acute oral toxicity data

Prediction of the Neurotoxic Potential of Chemicals Based on Modelling of Molecular Initiating Events Upstream of the Adverse Outcome Pathways of (Developmental) Neurotoxicity

The System of Self-Consistent Models: The Case of Henry’s Law Constants

The validation of predictive potential via the system of self-consistent models: the simulation of blood–brain barrier permeation of organic compounds

QSAR Models for Human Carcinogenicity: An Assessment Based on Oral and Inhalation Slope Factors

Ligand-based prediction of hERG-mediated cardiotoxicity based on the integration of different machine learning techniques

The VEGA Tool to Check the Applicability Domain Gives Greater Confidence in the Prediction of In Silico Models

Quantitative Structure-Activity Relationship Modeling of the Amplex Ultrared Assay to Predict Thyroperoxidase Inhibitory Activity

Artificial Intelligence and Machine Learning Methods to Evaluate Cardiotoxicity following the Adverse Outcome Pathway Frameworks

Prediction of Endocrine-Disrupting Chemicals Related to Estrogen, Androgen, and Thyroid Hormone (EAT) Modalities Using Transcriptomics Data and Machine Learning

Quantitative Structure–Activity Relationship Models for the Angiotensin-Converting Enzyme Inhibitory Activities of Short-Chain Peptides of Goat Milk Using Quasi-SMILES

The System of Self-Consistent Models: QSAR Analysis of Drug-Induced Liver Toxicity

Semi-Correlations for Building Up a Simulation of Eye Irritation

Models for the No-Observed-Effect Concentration (NOEC) and Maximal Half-Effective Concentration (EC50)

CORAL Models for Drug-Induced Nephrotoxicity

Evaluating confidence in toxicity assessments based on experimental data and in silico predictions

Evaluating the applicability domain in the case of classification predictive models for carcinogenicity based on the counter propagation artificial neural network

Variable Selection and Interpretation in Structure−Affinity Correlation Modeling of Estrogen Receptor Binders

The VEGAHUB Platform: The Philosophy and the Tools

In Silico Methods for Carcinogenicity Assessment

The system of self-consistent models for vapour pressure

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