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Investigating landfill leachate toxicity in vitro: A review of cell models and endpoints

Environment international, 2019-01, Vol.122, p.21-30

2019

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Consensus QSAR modeling of toxicity of pharmaceuticals to different aquatic organisms: Ranking and prioritization of the DrugBank database compounds

Ecotoxicology and environmental safety, 2019-01, Vol.168, p.287-297

2019

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Integrating in silico models and read-across methods for predicting toxicity of chemicals: A step-wise strategy

Environment international, 2019-10, Vol.131, p.105060, Article 105060

2019

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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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Exposure to PFOA and PFOS and fetal growth: a critical merging of toxicological and epidemiological data

Critical reviews in toxicology, 2017-07, Vol.47 (6), p.489-515

2017

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QSAR modeling of Daphnia magna and fish toxicities of biocides using 2D descriptors

Chemosphere (Oxford), 2019-08, Vol.229, p.8-17

2019

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Intelligent consensus predictions of bioconcentration factor of pharmaceuticals using 2D and fragment-based descriptors

Environment international, 2022-12, Vol.170, p.107625, Article 107625

2022

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Genotoxicity of metal oxide nanomaterials: review of recent data and discussion of possible mechanisms

Nanoscale, 2015-02, Vol.7 (6), p.2154-2198

2015

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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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In Silico Tools and Software to Predict ADMET of New Drug Candidates

Methods in molecular biology (Clifton, N.J.), 2022, Vol.2425, p.85

2022

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In Silico Methods for Environmental Risk Assessment: Principles, Tiered Approaches, Applications, and Future Perspectives

Methods in molecular biology (Clifton, N.J.), 2022, Vol.2425, p.589

2022

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Investigating combined toxicity of binary mixtures in bees: Meta-analysis of laboratory tests, modelling, mechanistic basis and implications for risk assessment

Environment international, 2019-12, Vol.133 (Pt B), p.105256, Article 105256

2019

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First report on chemometric modeling of hydrolysis half-lives of organic chemicals

Environmental science and pollution research international, 2021, Vol.28 (2), p.1627-1642

2021

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New Models to Predict the Acute and Chronic Toxicities of Representative Species of the Main Trophic Levels of Aquatic Environments

Molecules (Basel, Switzerland), 2021-11, Vol.26 (22), p.6983

2021

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Use of Lhasa Limited Products for the In Silico Prediction of Drug Toxicity

Methods in molecular biology (Clifton, N.J.), 2022, Vol.2425, p.435

2022

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Ecotoxicological effects of atmospheric particulate produced by braking systems on aquatic and edaphic organisms

Environment international, 2020-04, Vol.137, p.105564, Article 105564

2020

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The self-organizing vector of atom-pairs proportions: use to develop models for melting points

Structural chemistry, 2021-06, Vol.32 (3), p.967-971

2021

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In Silico Models for Predicting Acute Systemic Toxicity

Methods in molecular biology (Clifton, N.J.), 2022, Vol.2425, p.259

2022

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Homology Modeling of the Human P-glycoprotein (ABCB1) and Insights into Ligand Binding through Molecular Docking Studies

International journal of molecular sciences, 2020-06, Vol.21 (11), p.4058

2020

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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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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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The using of the Index of Ideality of Correlation (IIC) to improve predictive potential of models of water solubility for pesticides

Environmental science and pollution research international, 2020-04, Vol.27 (12), p.13339-13347

2020

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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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Investigating landfill leachate toxicity in vitro: A review of cell models and endpoints

Consensus QSAR modeling of toxicity of pharmaceuticals to different aquatic organisms: Ranking and prioritization of the DrugBank database compounds

Integrating in silico models and read-across methods for predicting toxicity of chemicals: A step-wise strategy

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

Exposure to PFOA and PFOS and fetal growth: a critical merging of toxicological and epidemiological data

QSAR modeling of Daphnia magna and fish toxicities of biocides using 2D descriptors

Intelligent consensus predictions of bioconcentration factor of pharmaceuticals using 2D and fragment-based descriptors

Genotoxicity of metal oxide nanomaterials: review of recent data and discussion of possible mechanisms

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

In Silico Tools and Software to Predict ADMET of New Drug Candidates

In Silico Methods for Environmental Risk Assessment: Principles, Tiered Approaches, Applications, and Future Perspectives

Investigating combined toxicity of binary mixtures in bees: Meta-analysis of laboratory tests, modelling, mechanistic basis and implications for risk assessment

First report on chemometric modeling of hydrolysis half-lives of organic chemicals

New Models to Predict the Acute and Chronic Toxicities of Representative Species of the Main Trophic Levels of Aquatic Environments

Use of Lhasa Limited Products for the In Silico Prediction of Drug Toxicity

Ecotoxicological effects of atmospheric particulate produced by braking systems on aquatic and edaphic organisms

The self-organizing vector of atom-pairs proportions: use to develop models for melting points

In Silico Models for Predicting Acute Systemic Toxicity

Homology Modeling of the Human P-glycoprotein (ABCB1) and Insights into Ligand Binding through Molecular Docking Studies

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

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

The using of the Index of Ideality of Correlation (IIC) to improve predictive potential of models of water solubility for pesticides

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

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