Anton J. Hopfinger
According to our database1,
Anton J. Hopfinger
authored at least 39 papers
between 1977 and 2013.
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Bibliography
2013
Dependence of QSAR Models on the Selection of Trial Descriptor Sets: A Demonstration Using Nanotoxicity Endpoints of Decorated Nanotubes.
J. Chem. Inf. Model., 2013
2012
The great descriptor melting pot: mixing descriptors for the common good of QSAR models.
J. Comput. Aided Mol. Des., 2012
2010
In Silico Binary Classification QSAR Models Based on 4D-Fingerprints and MOE Descriptors for Prediction of hERG Blockage.
J. Chem. Inf. Model., 2010
3D-Pharmacophore mapping of thymidine-based inhibitors of TMPK as potential antituberculosis agents.
J. Comput. Aided Mol. Des., 2010
2009
3D Pharmacophore Mapping Using 4D QSAR Analysis for the Cytotoxicity of Lamellarins Against Human Hormone-Dependent T47D Breast Cancer Cells.
J. Chem. Inf. Model., 2009
Rational Design and 3D-Pharmacophore Mapping of 5′-Thiourea-Substituted α-Thymidine Analogues as Mycobacterial TMPK Inhibitors.
J. Chem. Inf. Model., 2009
2008
Membrane-Interaction Quantitative Structure-Activity Relationship (MI-QSAR) Analyses of Skin Penetration Enhancers.
J. Chem. Inf. Model., 2008
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., 2008
2007
Treating Chemical Diversity in QSAR Analysis: Modeling Diverse HIV-1 Integrase Inhibitors Using 4D Fingerprints.
J. Chem. Inf. Model., 2007
2006
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., 2006
2005
J. Comput. Aided Mol. Des., 2005
Prediction of plasma protein binding of drugs using Kier-Hall valence connectivity indices and 4D-fingerprint molecular similarity analyses.
J. Comput. Aided Mol. Des., 2005
2004
Constructing Optimum Blood Brain Barrier QSAR Models Using a Combination of 4D-Molecular Similarity Measures and Cluster Analysis.
J. Chem. Inf. Model., 2004
2003
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., 2003
Receptor-Independent 4D-QSAR Analysis of a Set of Norstatine Derived Inhibitors of HIV-1 Protease.
J. Chem. Inf. Comput. Sci., 2003
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., 2003
4D-QSAR Analysis of a Series of Antifungal P450 Inhibitors and 3D-Pharmacophore Comparisons as a Function of Alignment.
J. Chem. Inf. Comput. Sci., 2003
3D-Pharmacophores of Flavonoid Binding at the Benzodiazepine GABAA Receptor Site Using 4D-QSAR Analysis.
J. Chem. Inf. Comput. Sci., 2003
2002
Predicting Caco-2 Cell Permeation Coefficients of Organic Molecules Using Membrane-Interaction QSAR Analysis.
J. Chem. Inf. Comput. Sci., 2002
2001
J. Chem. Inf. Comput. Sci., 2001
Estimation of Molecular Similarity Based on 4D-QSAR Analysis: Formalism and Validation.
J. Chem. Inf. Comput. Sci., 2001
Free energy force field (FEFF) 3D-QSAR analysis of a set of Plasmodium falciparum dihydrofolate reductase inhibitors.
J. Comput. Aided Mol. Des., 2001
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., 2001
1999
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., 1999
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., 1999
1998
Four-Dimensional Quantitative Structure-Activity Relationship Analysis of a Series of Interphenylene 7-Oxabicycloheptane Oxazole Thromboxane A2 Receptor Antagonists.
J. Chem. Inf. Comput. Sci., 1998
1997
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., 1997
Constructing Protein Models for Ligand-Receptor Binding Thermodynamic Simulations: An Application to a Set of Peptidometic Renin Inhibitors.
J. Chem. Inf. Comput. Sci., 1997
1996
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., 1996
Conformational Analysis, Molecular Shape Comparison, and Pharmacophore Identification of Different Allosteric Modulators of Muscarinic Receptors.
J. Chem. Inf. Comput. Sci., 1996
1995
J. Chem. Inf. Comput. Sci., 1995
1994
Application of Genetic Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships.
J. Chem. Inf. Comput. Sci., 1994
Molecular Shape and QSAR Analyses of a Family of Substituted Dichlorodiphenyl Aromatase Inhibitors.
J. Chem. Inf. Comput. Sci., 1994
A Proposed Common Spatial Pharmacophore and the Corresponding Active Conformations of Some TxA2 Receptor Antagonists.
J. Chem. Inf. Comput. Sci., 1994
1981
Comput. Chem., 1981
1977