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admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties

Journal of chemical information and modeling, 2012-11, Vol.52 (11), p.3099-3105

2012

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China: Forward to the Green Pesticides via a Basic Research Program

Journal of agricultural and food chemistry, 2010-03, Vol.58 (5), p.2613-2623

2010

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Classification of Cytochrome P450 Inhibitors and Noninhibitors Using Combined Classifiers

Journal of chemical information and modeling, 2011-05, Vol.51 (5), p.996-1011

2011

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In silico prediction of chemical toxicity on avian species using chemical category approaches

Chemosphere (Oxford), 2015-03, Vol.122, p.280-287

2015

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Chemical rules for optimization of chemical mutagenicity via matched molecular pairs analysis and machine learning methods

Journal of cheminformatics, 2023-03, Vol.15 (1), p.35-35, Article 35

2023

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In silico estimation of chemical aquatic toxicity on crustaceans using chemical category methods

Environmental science--processes & impacts, 2018-01, Vol.20 (9), p.1234-1243

2018

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cis-Configuration: A New Tactic/Rationale for Neonicotinoid Molecular Design

Journal of agricultural and food chemistry, 2011-04, Vol.59 (7), p.2943-2949

2011

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In silico prediction of UGT-mediated metabolism in drug-like molecules via graph neural network

Journal of cheminformatics, 2022-07, Vol.14 (1), p.46-46, Article 46

2022

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In silico prediction of hERG potassium channel blockage by chemical category approaches

Toxicology research (Cambridge), 2016-01, Vol.5 (2), p.570-582

2016

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Green Pesticide R&D in China

Journal of agricultural and food chemistry, 2023-04, Vol.71 (14), p.5417-5418

2023

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Pesticide Chemistry: Crop Protection, Public Health, Environmental Safety

1. Aufl., 2007

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IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep Learning Method

Journal of chemical information and modeling, 2022-06, Vol.62 (11), p.2788-2799

2022

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In silico Prediction of Drug Induced Liver Toxicity Using Substructure Pattern Recognition Method

Molecular informatics, 2016-04, Vol.35 (3-4), p.136-144

2016

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Computational Prediction of Site of Metabolism for UGT-Catalyzed Reactions

Journal of chemical information and modeling, 2019-03, Vol.59 (3), p.1085-1095

2019

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Multiclassification Prediction of Enzymatic Reactions for Oxidoreductases and Hydrolases Using Reaction Fingerprints and Machine Learning Methods

Journal of chemical information and modeling, 2018-06, Vol.58 (6), p.1169-1181

2018

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In silico Prediction of Chemical Ames Mutagenicity

Journal of chemical information and modeling, 2012-11, Vol.52 (11), p.2840-2847

2012

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Correction to “admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties”

Journal of chemical information and modeling, 2019-11, Vol.59 (11), p.4959-4959

2019

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In Silico Assessment of Chemical Biodegradability

Journal of chemical information and modeling, 2012-03, Vol.52 (3), p.655-669

2012

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In silico prediction of chemical aquatic toxicity for marine crustaceans via machine learning

Toxicology research (Cambridge), 2019-05, Vol.8 (3), p.341-352

2019

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In silico prediction of Tetrahymena pyriformis toxicity for diverse industrial chemicals with substructure pattern recognition and machine learning methods

Chemosphere (Oxford), 2011-03, Vol.82 (11), p.1636-1643

2011

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Prediction of human genes and diseases targeted by xenobiotics using predictive toxicogenomic-derived models (PTDMs)

Molecular bioSystems, 2013-01, Vol.9 (6), p.1316-1325

2013

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Insights into Molecular Basis of Cytochrome P450 Inhibitory Promiscuity of Compounds

Journal of chemical information and modeling, 2011-10, Vol.51 (10), p.2482-2495

2011

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Metabolic pathways of agrochemicals, part 2: insecticides and fungicides.

1, 2007

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Metabolic pathways of agrochemicals: part 1: herbicides and plant growth regulators.

Roberts, Terry

1, 2007

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In silico estimation of chemical aquatic toxicity on crustaceans using chemical category methodsElectronic supplementary information (ESI) available. See DOI: 10.1039/c8em00220g

2018-09

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admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties

China: Forward to the Green Pesticides via a Basic Research Program

Classification of Cytochrome P450 Inhibitors and Noninhibitors Using Combined Classifiers

In silico prediction of chemical toxicity on avian species using chemical category approaches

Chemical rules for optimization of chemical mutagenicity via matched molecular pairs analysis and machine learning methods

In silico estimation of chemical aquatic toxicity on crustaceans using chemical category methods

cis-Configuration: A New Tactic/Rationale for Neonicotinoid Molecular Design

In silico prediction of UGT-mediated metabolism in drug-like molecules via graph neural network

In silico prediction of hERG potassium channel blockage by chemical category approaches

Green Pesticide R&D in China

Pesticide Chemistry: Crop Protection, Public Health, Environmental Safety

IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep Learning Method

In silico Prediction of Drug Induced Liver Toxicity Using Substructure Pattern Recognition Method

Computational Prediction of Site of Metabolism for UGT-Catalyzed Reactions

Multiclassification Prediction of Enzymatic Reactions for Oxidoreductases and Hydrolases Using Reaction Fingerprints and Machine Learning Methods

In silico Prediction of Chemical Ames Mutagenicity

Correction to “admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties”

In Silico Assessment of Chemical Biodegradability

In silico prediction of chemical aquatic toxicity for marine crustaceans via machine learning

In silico prediction of Tetrahymena pyriformis toxicity for diverse industrial chemicals with substructure pattern recognition and machine learning methods

Prediction of human genes and diseases targeted by xenobiotics using predictive toxicogenomic-derived models (PTDMs)

Insights into Molecular Basis of Cytochrome P450 Inhibitory Promiscuity of Compounds

Metabolic pathways of agrochemicals, part 2: insecticides and fungicides.

Metabolic pathways of agrochemicals: part 1: herbicides and plant growth regulators.

In silico estimation of chemical aquatic toxicity on crustaceans using chemical category methodsElectronic supplementary information (ESI) available. See DOI: 10.1039/c8em00220g

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