Anton J. Hopfinger

Publication Activity (10 Years)

Years Active: 1977-2013
Publications (10 Years): 0

Top Topics

Discriminative Power

Statistical Models

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Chi-Yu Shao, Sing-Zuo Chen, Bo-Han Su, Yufeng J. Tseng, Emilio Xavier Esposito, Anton J. Hopfinger
Dependence of QSAR Models on the Selection of Trial Descriptor Sets: A Demonstration Using Nanotoxicity Endpoints of Decorated Nanotubes. J. Chem. Inf. Model. 53 (1) (2013)
Yufeng J. Tseng, Anton J. Hopfinger, Emilio Xavier Esposito
The great descriptor melting pot: mixing descriptors for the common good of QSAR models. J. Comput. Aided Mol. Des. 26 (1) (2012)
Carolina Horta Andrade, Kerly F. M. Pasqualoto, Elizabeth I. Ferreira, Anton J. Hopfinger
3D-Pharmacophore mapping of thymidine-based inhibitors of TMPK as potential antituberculosis agents. J. Comput. Aided Mol. Des. 24 (2) (2010)
Bo-Han Su, Meng-yu Shen, Emilio Xavier Esposito, Anton J. Hopfinger, Yufeng J. Tseng
In Silico Binary Classification QSAR Models Based on 4D-Fingerprints and MOE Descriptors for Prediction of hERG Blockage. J. Chem. Inf. Model. 50 (7) (2010)
Poonsiri Thipnate, Jianzhong Liu, Supa Hannongbua, Anton J. Hopfinger
3D Pharmacophore Mapping Using 4D QSAR Analysis for the Cytotoxicity of Lamellarins Against Human Hormone-Dependent T47D Breast Cancer Cells. J. Chem. Inf. Model. 49 (10) (2009)
Carolina Horta Andrade, Kerly F. M. Pasqualoto, Elizabeth I. Ferreira, Anton J. Hopfinger
Rational Design and 3D-Pharmacophore Mapping of 5′-Thiourea-Substituted α-Thymidine Analogues as Mycobacterial TMPK Inhibitors. J. Chem. Inf. Model. 49 (4) (2009)
Anton J. Hopfinger, Emilio Xavier Esposito, Antonio Llinàs, Robert C. Glen, Jonathan M. Goodman
Findings of the Challenge To Predict Aqueous Solubility. J. Chem. Inf. Model. 49 (1) (2009)
Tao Zheng, Anton J. Hopfinger, Emilio Xavier Esposito, Jianzhong Liu, Yufeng J. Tseng
Membrane-Interaction Quantitative Structure-Activity Relationship (MI-QSAR) Analyses of Skin Penetration Enhancers. J. Chem. Inf. Model. 48 (6) (2008)
Jianzhong Liu, Petra Kern, G. Frank Gerberick, Osvaldo Andrade Santos-Filho, Emilio Xavier Esposito, Anton J. Hopfinger, Yufeng J. Tseng
Categorical QSAR models for skin sensitization based on local lymph node assay measures and both ground and excited state 4D-fingerprint descriptors. J. Comput. Aided Mol. Des. 22 (6-7) (2008)
Manisha Iyer, Anton J. Hopfinger
Treating Chemical Diversity in QSAR Analysis: Modeling Diverse HIV-1 Integrase Inhibitors Using 4D Fingerprints. J. Chem. Inf. Model. 47 (5) (2007)
Manisha Iyer, Tao Zheng, Anton J. Hopfinger, Yufeng J. Tseng
QSAR Analyses of Skin Penetration Enhancers. J. Chem. Inf. Model. 47 (3) (2007)
Osvaldo Andrade Santos-Filho, Anton J. Hopfinger
Structure-Based QSAR Analysis of a Set of 4-Hydroxy-5, 6-dihydropyrones as Inhibitors of HIV-1 Protease: An Application of the Receptor-Dependent (RD) 4D-QSAR Formalism. J. Chem. Inf. Model. 46 (1) (2006)
Jianzhong Liu, Liu Yang, Yi Li, Dahua Pan, Anton J. Hopfinger
Prediction of plasma protein binding of drugs using Kier-Hall valence connectivity indices and 4D-fingerprint molecular similarity analyses. J. Comput. Aided Mol. Des. 19 (8) (2005)
Nelilma Correia Romeiro, Magaly G. Albuquerque, Ricardo B. de Alencastro, Malini Ravi, Anton J. Hopfinger
Construction of 4D-QSAR Models for Use in the Design of Novel p38-MAPK Inhibitors. J. Comput. Aided Mol. Des. 19 (6) (2005)
Dahua Pan, Manisha Iyer, Jianzhong Liu, Yi Li, Anton J. Hopfinger
Constructing Optimum Blood Brain Barrier QSAR Models Using a Combination of 4D-Molecular Similarity Measures and Cluster Analysis. J. Chem. Inf. Model. 44 (6) (2004)
Craig L. Senese, José S. Duca, Dahua Pan, Anton J. Hopfinger, Yufeng J. Tseng
4D-Fingerprints, Universal QSAR and QSPR Descriptors. J. Chem. Inf. Model. 44 (5) (2004)
Craig L. Senese, Anton J. Hopfinger
A Simple Clustering Technique To Improve QSAR Model Selection and Predictivity: Application to a Receptor Independent 4D-QSAR Analysis of Cyclic Urea Derived Inhibitors of HIV-1 Protease. J. Chem. Inf. Comput. Sci. 43 (6) (2003)
Jianzhong Liu, Dahua Pan, Yufeng J. Tseng, Anton J. Hopfinger
4D-QSAR Analysis of a Series of Antifungal P450 Inhibitors and 3D-Pharmacophore Comparisons as a Function of Alignment. J. Chem. Inf. Comput. Sci. 43 (6) (2003)
Xuan Hong, Anton J. Hopfinger
3D-Pharmacophores of Flavonoid Binding at the Benzodiazepine GABAA Receptor Site Using 4D-QSAR Analysis. J. Chem. Inf. Comput. Sci. 43 (1) (2003)
Craig L. Senese, Anton J. Hopfinger
Receptor-Independent 4D-QSAR Analysis of a Set of Norstatine Derived Inhibitors of HIV-1 Protease. J. Chem. Inf. Comput. Sci. 43 (4) (2003)
Dahua Pan, Yufeng J. Tseng, Anton J. Hopfinger
Quantitative Structure-Based Design: Formalism and Application of Receptor-Dependent RD-4D-QSAR Analysis to a Set of Glucose Analogue Inhibitors of Glycogen Phosphorylase. J. Chem. Inf. Comput. Sci. 43 (5) (2003)
Amit Kulkarni, Yi Han, Anton J. Hopfinger
Predicting Caco-2 Cell Permeation Coefficients of Organic Molecules Using Membrane-Interaction QSAR Analysis. J. Chem. Inf. Comput. Sci. 42 (2) (2002)
Osvaldo Andrade Santos-Filho, Rama K. Mishra, Anton J. Hopfinger
Free energy force field (FEFF) 3D-QSAR analysis of a set of Plasmodium falciparum dihydrofolate reductase inhibitors. J. Comput. Aided Mol. Des. 15 (9) (2001)
José S. Duca, Anton J. Hopfinger
Estimation of Molecular Similarity Based on 4D-QSAR Analysis: Formalism and Validation. J. Chem. Inf. Comput. Sci. 41 (5) (2001)
Malini Ravi, Anton J. Hopfinger, Robert E. Hormann, Laurence Dinan
4D-QSAR Analysis of a Set of Ecdysteroids and a Comparison to CoMFA Modeling. J. Chem. Inf. Comput. Sci. 41 (6) (2001)
Osvaldo Andrade Santos-Filho, Anton J. Hopfinger
A search for sources of drug resistance by the 4D-QSAR analysis of a set of antimalarial dihydrofolate reductase inhibitors. J. Comput. Aided Mol. Des. 15 (1) (2001)
Prabha Venkatarangan, Anton J. Hopfinger
Prediction of Ligand-Receptor Binding Free Energy by 4D-QSAR Analysis: Application to a Set of Glucose Analogue Inhibitors of Glycogen Phosphorylase. J. Chem. Inf. Comput. Sci. 39 (6) (1999)
Anton J. Hopfinger, Andrea Reaka, Prabha Venkatarangan, José S. Duca, Shen Wang
Construction of a Virtual High Throughput Screen by 4D-QSAR Analysis: Application to a Combinatorial Library of Glucose Inhibitors of Glycogen Phosphorylase b. J. Chem. Inf. Comput. Sci. 39 (6) (1999)
Magaly G. Albuquerque, Anton J. Hopfinger, Eliezer J. Barreiro, Ricardo B. de Alencastro
Four-Dimensional Quantitative Structure-Activity Relationship Analysis of a Series of Interphenylene 7-Oxabicycloheptane Oxazole Thromboxane A2 Receptor Antagonists. J. Chem. Inf. Comput. Sci. 38 (5) (1998)
J. S. Tokarski, Anton J. Hopfinger
Constructing Protein Models for Ligand-Receptor Binding Thermodynamic Simulations: An Application to a Set of Peptidometic Renin Inhibitors. J. Chem. Inf. Comput. Sci. 37 (4) (1997)
J. S. Tokarski, Anton J. Hopfinger
Prediction of Ligand-Receptor Binding Thermodynamics by Free Energy Force Field (FEFF) 3D-QSAR Analysis: Application to a Set of Peptidometic Renin Inhibitors. J. Chem. Inf. Comput. Sci. 37 (4) (1997)
Ulrike Holzgrabe, Anton J. Hopfinger
Conformational Analysis, Molecular Shape Comparison, and Pharmacophore Identification of Different Allosteric Modulators of Muscarinic Receptors. J. Chem. Inf. Comput. Sci. 36 (5) (1996)
K.-B. Rhyu, H. C. Patel, Anton J. Hopfinger
A 3D-QSAR Study of Anticoccidial Triazines Using Molecular Shape Analysis [J. Chem. Inf. Comput. Sci 35, 771-778 (1995)]. J. Chem. Inf. Comput. Sci. 36 (3) (1996)
K.-B. Rhyu, H. C. Patel, Anton J. Hopfinger
A 3D-QSAR Study of Anticoccidial Triazines Using Molecular Shape Analysis. J. Chem. Inf. Comput. Sci. 35 (4) (1995)
B. Jin, Anton J. Hopfinger
A Proposed Common Spatial Pharmacophore and the Corresponding Active Conformations of Some TxA2 Receptor Antagonists. J. Chem. Inf. Comput. Sci. 34 (4) (1994)
David Rogers, Anton J. Hopfinger
Application of Genetic Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships. J. Chem. Inf. Comput. Sci. 34 (4) (1994)
Peter I. Nagy, John Tokarski, Anton J. Hopfinger
Molecular Shape and QSAR Analyses of a Family of Substituted Dichlorodiphenyl Aromatase Inhibitors. J. Chem. Inf. Comput. Sci. 34 (5) (1994)
Nelson L. Max, Deepak Malhorta, Anton J. Hopfinger
Computer graphics and the generation of DNA confirmations for intercalation studies. Comput. Chem. 5 (1) (1981)
R. Potenzone Jr., Elizabeth Cavicchi, Herschel J. R. Weintraub, Anton J. Hopfinger
Molecular mechanics and the CAMSECI processor. Comput. Chem. 1 (3) (1977)