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Topological QSAR Modelling of Carboxamides Repellent Activity to Aedes Aegypti

Molecular informatics, 2019-08, Vol.38 (8-9), p.n/a

2019

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In silico prediction of mosquito repellents for clothing application

SAR and QSAR in environmental research, 2022-04, Vol.33 (4), p.239-257

2022

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Investigation of the influence of protein corona composition on gold nanoparticle bioactivity using machine learning approaches

SAR and QSAR in environmental research, 2016-07, Vol.27 (7), p.521-538

2016

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Linear and non-linear modelling of the cytotoxicity of TiO2 and ZnO nanoparticles by empirical descriptors

SAR and QSAR in environmental research, 2015-09, Vol.26 (7-9), p.647-665

2015

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QSAR models for predicting the toxicity of piperidine derivatives against Aedes aegypti

SAR and QSAR in environmental research, 2017-06, Vol.28 (6), p.451-470

2017

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Computational approaches for the prediction of the selective uptake of magnetofluorescent nanoparticles into human cells

RSC advances, 2016-01, Vol.6 (73), p.68806-68818

2016

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Comparative Study of QSAR/QSPR Correlations Using Support Vector Machines, Radial Basis Function Neural Networks, and Multiple Linear Regression

Journal of Chemical Information and Computer Sciences, 2004-07, Vol.44 (4), p.1257-1266

2004

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Structure-activity relationship (SAR) modelling of mosquito larvicides

SAR and QSAR in environmental research, 2015-04, Vol.26 (4), p.263-278

2015

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Structure-activity relationship study of trifluoromethylketone inhibitors of insect juvenile hormone esterase: Comparison of several classification methods

SAR and QSAR in environmental research, 2014-01, Vol.25 (7), p.589-616

2014

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Structure-activity relationship study of trifluoromethylketones: inhibitors of insect juvenile hormone esterase

SAR and QSAR in environmental research, 2013-06, Vol.24 (6), p.481-499

2013

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Comparative classification study of toxicity mechanisms using support vector machines and radial basis function neural networks

Analytica chimica acta, 2005-04, Vol.535 (1), p.259-273

2005

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QSAR and Classification Study of 1,4-Dihydropyridine Calcium Channel Antagonists Based on Least Squares Support Vector Machines

Molecular pharmaceutics, 2005-09, Vol.2 (5), p.348-356

2005

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Linear and non-linear QSAR modelling of juvenile hormone esterase inhibitors

SAR and QSAR in environmental research, 2012-04, Vol.23 (3-4), p.357-369

2012

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Decision trees versus support vector machine for classification of androgen receptor ligands

SAR and QSAR in environmental research, 2008-01, Vol.19 (1-2), p.129-151

2008

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Neural networks for optimization of high-performance capillary zone electrophoresis methods: A new method using a combination of experimental design and artificial neural networks

Journal of Chromatography A, 1998-01, Vol.793 (2), p.317-329

1998

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Quantitative structure-toxicity relationships (QSTRs): A comparative study of various non linear methods. General regression neural network, radial basis function neural network and support vector machine in predicting toxicity of nitro- and cyano- aromatics to Tetrahymena pyriformis

SAR and QSAR in environmental research, 2006-02, Vol.17 (1), p.75-91

2006

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Linear and non-linear modelling of the cytotoxicity of TiO 2 and ZnO nanoparticles by empirical descriptors

SAR and QSAR in environmental research, 2015-09, Vol.26 (7-9), p.647-665

2015

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CISOC-PSCT: a predictive system for carcinogenic toxicity

SAR and QSAR in environmental research, 2004-06, Vol.15 (3), p.217-235

2004

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MolDIA: XML based system of molecular diversity analysis towards virtual screening and QSPR

SAR and QSAR in environmental research, 2006-02, Vol.17 (1), p.11-23

2006

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Computational approaches for the prediction of the selective uptake of magnetofluorescent nanoparticles into human cellsElectronic supplementary information (ESI) available: Figures and tables. See DOI: 10.1039/c6ra07898b

2016-07

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Comparative study of non nucleoside inhibitors with HIV-1 reverse transcriptase based on 3D-QSAR and docking

SAR and QSAR in environmental research, 2003-10, Vol.14 (5-6), p.455-474

2003

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Quantitative Prediction of Liquid Chromatography Retention of N-Benzylideneanilines Based on Quantum Chemical Parameters and Radial Basis Function Neural Network

Journal of Chemical Information and Computer Sciences, 2002-05, Vol.42 (3), p.592-597

2002

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Contribution to structural elucidation: Behaviours of substructures partially defined from 2D NMR

Chinese journal of chemistry, 2003-10, Vol.21 (10), p.1268-1274

2003

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Dibenzoylhydrazines as Insect Growth Modulators: Topology-Based QSAR Modelling

Advances in Sciences and Engineering, 2020-06, Vol.12 (1), p.28-40

2020

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Virtual screening and rational drug design method using structure generation system based on 3D-QSAR and docking

SAR and QSAR in environmental research, 2003-08, Vol.14 (4), p.251-264

2003

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Topological QSAR Modelling of Carboxamides Repellent Activity to Aedes Aegypti

In silico prediction of mosquito repellents for clothing application

Investigation of the influence of protein corona composition on gold nanoparticle bioactivity using machine learning approaches

Linear and non-linear modelling of the cytotoxicity of TiO2 and ZnO nanoparticles by empirical descriptors

QSAR models for predicting the toxicity of piperidine derivatives against Aedes aegypti

Computational approaches for the prediction of the selective uptake of magnetofluorescent nanoparticles into human cells

Comparative Study of QSAR/QSPR Correlations Using Support Vector Machines, Radial Basis Function Neural Networks, and Multiple Linear Regression

Structure-activity relationship (SAR) modelling of mosquito larvicides

Structure-activity relationship study of trifluoromethylketone inhibitors of insect juvenile hormone esterase: Comparison of several classification methods

Structure-activity relationship study of trifluoromethylketones: inhibitors of insect juvenile hormone esterase

Comparative classification study of toxicity mechanisms using support vector machines and radial basis function neural networks

QSAR and Classification Study of 1,4-Dihydropyridine Calcium Channel Antagonists Based on Least Squares Support Vector Machines

Linear and non-linear QSAR modelling of juvenile hormone esterase inhibitors

Decision trees versus support vector machine for classification of androgen receptor ligands

Neural networks for optimization of high-performance capillary zone electrophoresis methods: A new method using a combination of experimental design and artificial neural networks

Quantitative structure-toxicity relationships (QSTRs): A comparative study of various non linear methods. General regression neural network, radial basis function neural network and support vector machine in predicting toxicity of nitro- and cyano- aromatics to Tetrahymena pyriformis

Linear and non-linear modelling of the cytotoxicity of TiO 2 and ZnO nanoparticles by empirical descriptors

CISOC-PSCT: a predictive system for carcinogenic toxicity

MolDIA: XML based system of molecular diversity analysis towards virtual screening and QSPR

Computational approaches for the prediction of the selective uptake of magnetofluorescent nanoparticles into human cellsElectronic supplementary information (ESI) available: Figures and tables. See DOI: 10.1039/c6ra07898b

Comparative study of non nucleoside inhibitors with HIV-1 reverse transcriptase based on 3D-QSAR and docking

Quantitative Prediction of Liquid Chromatography Retention of N-Benzylideneanilines Based on Quantum Chemical Parameters and Radial Basis Function Neural Network

Contribution to structural elucidation: Behaviours of substructures partially defined from 2D NMR

Dibenzoylhydrazines as Insect Growth Modulators: Topology-Based QSAR Modelling

Virtual screening and rational drug design method using structure generation system based on 3D-QSAR and docking

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