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Predicting acute contact toxicity of pesticides in honeybees (Apis mellifera) through a k-nearest neighbor model

Chemosphere (Oxford), 2017-01, Vol.166, p.438-444

2017

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CORAL: Quantitative structure-activity relationship models for estimating toxicity of organic compounds in rats

Journal of computational chemistry, 2011-09, Vol.32 (12), p.2727-2733

2011

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Monte Carlo technique to study the adsorption affinity of azo dyes by applying new statistical criteria of the predictive potential

SAR and QSAR in environmental research, 2022-08, Vol.33 (8), p.621-630

2022

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Quasi-SMILES: Self-consistent models for toxicity of organic chemicals to tadpoles

Chemosphere (Oxford), 2023-01, Vol.312, p.137224, Article 137224

2023

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Classification of a Naïve Bayesian Fingerprint model to predict reproductive toxicity

SAR and QSAR in environmental research, 2018-08, Vol.29 (8), p.631-645

2018

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Could deep learning in neural networks improve the QSAR models?

SAR and QSAR in environmental research, 2019-09, Vol.30 (9), p.617-642

2019

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Modelling quantitative structure activity-activity relationships (QSAARs): auto-pass-pass, a new approach to fill data gaps in environmental risk assessment under the REACH regulation

SAR and QSAR in environmental research, 2020-10, Vol.31 (10), p.785-801

2020

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The QSAR-search of effective agents towards coronaviruses applying the Monte Carlo method

SAR and QSAR in environmental research, 2021-09, Vol.32 (9), p.689-698

2021

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Modeling the migration of chemicals from food contact materials to food: The MERLIN-expo/VERMEER toolbox

Food and chemical toxicology, 2022-08, Vol.166, p.113118-113118, Article 113118

2022

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EFSA’s OpenFoodTox: An open source toxicological database on chemicals in food and feed and its future developments

Environment international, 2021-01, Vol.146, p.106293, Article 106293

2021

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Modeling ADMET

Methods in molecular biology (Clifton, N.J.), 2016, Vol.1425, p.63

2016

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Comparison of in silico tools for evaluating rat oral acute toxicity

SAR and QSAR in environmental research, 2015-01, Vol.26 (1), p.1-27

2015

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CORAL: Prediction of binding affinity and efficacy of thyroid hormone receptor ligands

European journal of medicinal chemistry, 2015-08, Vol.101, p.452-461

2015

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Carcinogenicity prediction using the index of ideality of correlation

SAR and QSAR in environmental research, 2022-06, Vol.33 (6), p.419-428

2022

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Idealization of correlations between optimal simplified molecular input-line entry system-based descriptors and skin sensitization

SAR and QSAR in environmental research, 2019-06, Vol.30 (6), p.447-455

2019

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Automatic knowledge extraction from chemical structures: the case of mutagenicity prediction

SAR and QSAR in environmental research, 2013-05, Vol.24 (5), p.365-383

2013

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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.), 2016, Vol.1425, p.163

2016

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Prediction of No Observed Adverse Effect Concentration for inhalation toxicity using Monte Carlo approach

SAR and QSAR in environmental research, 2020-12, Vol.31 (12), p.1-12

2020

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VOC exposures in California early childhood education environments

Indoor air, 2017-05, Vol.27 (3), p.609-621

2017

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A combined approach to investigate the toxicity of an industrial landfill’s leachate: Chemical analyses, risk assessment and in vitro assays

Environmental research, 2011-05, Vol.111 (4), p.603-613

2011

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A large comparison of integrated SAR/QSAR models of the Ames test for mutagenicity

SAR and QSAR in environmental research, 2018-08, Vol.29 (8), p.591-611

2018

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In vivo exposure of carp to graded concentrations of bisphenol A

General and comparative endocrinology, 2007-08, Vol.153 (1), p.15-24

2007

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In Silico Models for Ecotoxicity of Pharmaceuticals

Methods in molecular biology (Clifton, N.J.), 2016-01, Vol.1425, p.237

2016

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ToxRead: A tool to assist in read across and its use to assess mutagenicity of chemicals

SAR and QSAR in environmental research, 2014-12, Vol.25 (12), p.999-1011

2014

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Evaluation of non-commercial models for genotoxicity and carcinogenicity in the assessment of EFSA's databases

SAR and QSAR in environmental research, 2020-01, Vol.31 (1), p.33-48

2020

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Predicting acute contact toxicity of pesticides in honeybees (Apis mellifera) through a k-nearest neighbor model

CORAL: Quantitative structure-activity relationship models for estimating toxicity of organic compounds in rats

Monte Carlo technique to study the adsorption affinity of azo dyes by applying new statistical criteria of the predictive potential

Quasi-SMILES: Self-consistent models for toxicity of organic chemicals to tadpoles

Classification of a Naïve Bayesian Fingerprint model to predict reproductive toxicity

Could deep learning in neural networks improve the QSAR models?

Modelling quantitative structure activity-activity relationships (QSAARs): auto-pass-pass, a new approach to fill data gaps in environmental risk assessment under the REACH regulation

The QSAR-search of effective agents towards coronaviruses applying the Monte Carlo method

Modeling the migration of chemicals from food contact materials to food: The MERLIN-expo/VERMEER toolbox

EFSA’s OpenFoodTox: An open source toxicological database on chemicals in food and feed and its future developments

Modeling ADMET

Comparison of in silico tools for evaluating rat oral acute toxicity

CORAL: Prediction of binding affinity and efficacy of thyroid hormone receptor ligands

Carcinogenicity prediction using the index of ideality of correlation

Idealization of correlations between optimal simplified molecular input-line entry system-based descriptors and skin sensitization

Automatic knowledge extraction from chemical structures: the case of mutagenicity prediction

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

Prediction of No Observed Adverse Effect Concentration for inhalation toxicity using Monte Carlo approach

VOC exposures in California early childhood education environments

A combined approach to investigate the toxicity of an industrial landfill’s leachate: Chemical analyses, risk assessment and in vitro assays

A large comparison of integrated SAR/QSAR models of the Ames test for mutagenicity

In vivo exposure of carp to graded concentrations of bisphenol A

In Silico Models for Ecotoxicity of Pharmaceuticals

ToxRead: A tool to assist in read across and its use to assess mutagenicity of chemicals

Evaluation of non-commercial models for genotoxicity and carcinogenicity in the assessment of EFSA's databases

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