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A new semi-automated workflow for chemical data retrieval and quality checking for modeling applications

Journal of cheminformatics, 2018-12, Vol.10 (1), p.60-13, Article 60

2018

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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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Adverse outcome pathways: opportunities, limitations and open questions

Archives of toxicology, 2017-11, Vol.91 (11), p.3477-3505

2017

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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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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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Structure-Based Design and Optimization of Multitarget-Directed 2H‑Chromen-2-one Derivatives as Potent Inhibitors of Monoamine Oxidase B and Cholinesterases

Journal of medicinal chemistry, 2015-07, Vol.58 (14), p.5561

2015

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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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Methodology of aiQSAR: a group-specific approach to QSAR modelling

Journal of cheminformatics, 2019-04, Vol.11 (1), p.27-9, Article 27

2019

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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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REACH and in silico methods: an attractive opportunity for medicinal chemists

Drug discovery today, 2014-11, Vol.19 (11), p.1757-1768

2014

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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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Corrigendum to “Novel clinical phenotypes, drug categorization, and outcome prediction in drug-induced cholestasis: Analysis of a database of 432 patients developed by literature review and machine learning support” [Biomed. Pharmacother. 174 (2024) 116530]

Biomedicine & pharmacotherapy, 2024-06, Vol.175, p.116813, Article 116813

2024

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Monte Carlo Models for Sub-Chronic Repeated-Dose Toxicity: Systemic and Organ-Specific Toxicity

International journal of molecular sciences, 2022-06, Vol.23 (12), p.6615

2022

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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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Novel clinical phenotypes, drug categorization, and outcome prediction in drug-induced cholestasis: Analysis of a database of 432 patients developed by literature review and machine learning support

Biomedicine & pharmacotherapy, 2024-05, Vol.174, p.116530-116530, Article 116530

2024

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Identification of structural alerts for liver and kidney toxicity using repeated dose toxicity data

BMC chemistry, 2015-11, Vol.9 (1), p.1

2015

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Correction to: A new semi-automated workflow for chemical data retrieval and quality checking for modeling applications

Journal of cheminformatics, 2019-04, Vol.11 (1), p.31-1, Article 31

2019

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Automated Integration of Structural, Biological and Metabolic Similarities to Sustain Read-Across_suppl1

ALTEX, alternatives to animal experimentation, 2020

Gadaleta, Domenico

2020

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Automated Integration of Structural, Biological and Metabolic Similarities to Sustain Read-Across_suppl2

ALTEX, alternatives to animal experimentation, 2020

Gadaleta, Domenico

2020

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In Silico Models for Repeated-Dose Toxicity (RDT): Prediction of the No Observed Adverse Effect Level (NOAEL) and Lowest Observed Adverse Effect Level (LOAEL) for Drugs

Methods in molecular biology (Clifton, N.J.), 2022, Vol.2425, p.241

2022

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A descriptor-based analysis to highlight the mechanistic rationale of mutagenicity

Journal of environmental science and health. Part C: Toxicology and carcinogenesis, 2021-05, Vol.39 (3), p.269-292

2021

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Ecotoxicological QSAR modeling of the acute toxicity of organic compounds to the freshwater crustacean Thamnocephalus platyurus

Chemosphere (Oxford), 2021-10, Vol.280, p.130652-130652, Article 130652

2021

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New in silico models to predict in vitro micronucleus induction as marker of genotoxicity

Journal of hazardous materials, 2020-03, Vol.385, p.121638, Article 121638

2020

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A knowledge-based expert rule system for predicting mutagenicity (Ames test) of aromatic amines and azo compounds

Toxicology (Amsterdam), 2016-08, Vol.370, p.20-30

2016

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A k-NN algorithm for predicting oral sub-chronic toxicity in the rat - Supplementary Data

ALTEX, alternatives to animal experimentation, 2014, Vol.31 (4), p.1-9

Gadaleta, Domenico

2014

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A new semi-automated workflow for chemical data retrieval and quality checking for modeling applications

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

Adverse outcome pathways: opportunities, limitations and open questions

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

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

Structure-Based Design and Optimization of Multitarget-Directed 2H‑Chromen-2-one Derivatives as Potent Inhibitors of Monoamine Oxidase B and Cholinesterases

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

Methodology of aiQSAR: a group-specific approach to QSAR modelling

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

REACH and in silico methods: an attractive opportunity for medicinal chemists

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

Corrigendum to “Novel clinical phenotypes, drug categorization, and outcome prediction in drug-induced cholestasis: Analysis of a database of 432 patients developed by literature review and machine learning support” [Biomed. Pharmacother. 174 (2024) 116530]

Monte Carlo Models for Sub-Chronic Repeated-Dose Toxicity: Systemic and Organ-Specific Toxicity

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

Novel clinical phenotypes, drug categorization, and outcome prediction in drug-induced cholestasis: Analysis of a database of 432 patients developed by literature review and machine learning support

Identification of structural alerts for liver and kidney toxicity using repeated dose toxicity data

Correction to: A new semi-automated workflow for chemical data retrieval and quality checking for modeling applications

Automated Integration of Structural, Biological and Metabolic Similarities to Sustain Read-Across_suppl1

Automated Integration of Structural, Biological and Metabolic Similarities to Sustain Read-Across_suppl2

In Silico Models for Repeated-Dose Toxicity (RDT): Prediction of the No Observed Adverse Effect Level (NOAEL) and Lowest Observed Adverse Effect Level (LOAEL) for Drugs

A descriptor-based analysis to highlight the mechanistic rationale of mutagenicity

Ecotoxicological QSAR modeling of the acute toxicity of organic compounds to the freshwater crustacean Thamnocephalus platyurus

New in silico models to predict in vitro micronucleus induction as marker of genotoxicity

A knowledge-based expert rule system for predicting mutagenicity (Ames test) of aromatic amines and azo compounds

A k-NN algorithm for predicting oral sub-chronic toxicity in the rat - Supplementary Data

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