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Three-Dimensional QSAR Using the k-Nearest Neighbor Method and Its Interpretation

Journal of chemical information and modeling, 2006-01, Vol.46 (1), p.24-31

2006

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A neural network-based QSAR approach for exploration of diverse multi-tyrosine kinase inhibitors and its comparison with a fragment- based approach

Current computer-aided drug design, 2013-12, Vol.9 (4), p.482

2013

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Antiprotozoal Nitazoxanide Derivatives: Synthesis, Bioassays and QSAR Study Combined with Docking for Mechanistic Insight

Current computer-aided drug design, 2015-07, Vol.11 (1), p.21

2015

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Characterization of Mixtures. Part 2: QSPR Models for Prediction of Excess Molar Volume and Liquid Density Using Neural Networks

Molecular informatics, 2010-09, Vol.29 (8-9), p.645-653

2010

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Application of GQSAR for Scaffold Hopping and Lead Optimization in Multitarget Inhibitors

Molecular informatics, 2012-07, Vol.31 (6-7), p.473-490

2012

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Toward a general predictive QSAR model for gamma-secretase inhibitors

Molecular diversity, 2013-08, Vol.17 (3), p.421-434

2013

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A comprehensive structure–activity analysis of protein kinase B-alpha (Akt1) inhibitors

Journal of molecular graphics & modelling, 2010-04, Vol.28 (7), p.683-694

2010

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In silico studies with human DNA topoisomerase-II alpha to unravel the mechanism of in vitro genotoxicity of benzene and its metabolites

Mutation research, 2009-02, Vol.661 (1), p.57-70

2009

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Application of QSPR to Mixtures

Journal of chemical information and modeling, 2006-09, Vol.46 (5), p.2043-2055

2006

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Rationalizing Protein-Ligand Interactions for PTP1B Inhibitors Using Computational Methods

Chemical biology & drug design, 2009-12, Vol.74 (6), p.582-595

2009

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Modeling and interactions of Aspergillus fumigatus lanosterol 14-α demethylase `A' with azole antifungals

Bioorganic & medicinal chemistry, 2004-06, Vol.12 (11), p.2937-2950

2004

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An Improved Approximation to the Estimation of the Critical F Values in Best Subset Regression

Journal of chemical information and modeling, 2007-01, Vol.47 (1), p.143-149

2007

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Three-Dimensional QSAR Using the kappa-Nearest Neighbor Method and Its Interpretation

Journal of chemical information and modeling, 2006-01, Vol.46 (1), p.24

2006

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Group-Based QSAR (G-QSAR): Mitigating Interpretation Challenges in QSAR

QSAR & combinatorial science, 2009-01, Vol.28 (1), p.36-51

2009

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Quantitative structure-activity relationship analysis of a series of trans-octahydro-11-oxodibenzo-[ b,e]-thiepin propionic acid derivatives

European journal of medicinal chemistry, 1998, Vol.33 (1), p.47-53

1998

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A Dual-Response Partial Least Squares Regression QSAR Model and its Application in Design of Dual Activators of PPARα and PPARγ

QSAR & combinatorial science, 2008-12, Vol.27 (11-12), p.1291-1304

2008

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Characterization of Mixtures Part 1: Prediction of Infinite-Dilution Activity Coefficients Using Neural Network-Based QSPR Models

QSAR & combinatorial science, 2008-12, Vol.27 (11-12), p.1346-1361

2008

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Corrigendum to “ In silico studies with human DNA topoisomerase-II alpha to unravel the mechanism of in vitro genotoxicity of benzene and its metabolites” [Mutat. Res. 661 (2009) 57–70]

Mutation research, 2009-12, Vol.671 (1), p.100-100

2009

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Application of QSPR to Mixtures

ChemInform, 2006-12, Vol.37 (49), p.no-no

2006

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Three-Dimensional QSAR Using the k-Nearest Neighbor Method and Its Interpretation

A neural network-based QSAR approach for exploration of diverse multi-tyrosine kinase inhibitors and its comparison with a fragment- based approach

Antiprotozoal Nitazoxanide Derivatives: Synthesis, Bioassays and QSAR Study Combined with Docking for Mechanistic Insight

Characterization of Mixtures. Part 2: QSPR Models for Prediction of Excess Molar Volume and Liquid Density Using Neural Networks

Application of GQSAR for Scaffold Hopping and Lead Optimization in Multitarget Inhibitors

Toward a general predictive QSAR model for gamma-secretase inhibitors

A comprehensive structure–activity analysis of protein kinase B-alpha (Akt1) inhibitors

In silico studies with human DNA topoisomerase-II alpha to unravel the mechanism of in vitro genotoxicity of benzene and its metabolites

Application of QSPR to Mixtures

Rationalizing Protein-Ligand Interactions for PTP1B Inhibitors Using Computational Methods

Modeling and interactions of Aspergillus fumigatus lanosterol 14-α demethylase `A' with azole antifungals

An Improved Approximation to the Estimation of the Critical F Values in Best Subset Regression

Three-Dimensional QSAR Using the kappa-Nearest Neighbor Method and Its Interpretation

Group-Based QSAR (G-QSAR): Mitigating Interpretation Challenges in QSAR

Quantitative structure-activity relationship analysis of a series of trans-octahydro-11-oxodibenzo-[ b,e]-thiepin propionic acid derivatives

A Dual-Response Partial Least Squares Regression QSAR Model and its Application in Design of Dual Activators of PPARα and PPARγ

Characterization of Mixtures Part 1: Prediction of Infinite-Dilution Activity Coefficients Using Neural Network-Based QSPR Models

Corrigendum to “ In silico studies with human DNA topoisomerase-II alpha to unravel the mechanism of in vitro genotoxicity of benzene and its metabolites” [Mutat. Res. 661 (2009) 57–70]

Application of QSPR to Mixtures

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