Peter C. Jurs - RankMe

64 papers Journal 64

Year	Rank	Type	Title / Venue / Authors
2006	J	`jnl`	Local Lazy Regression: Making Use of the Neighborhood to Improve QSAR Predictions. J. Chem. Inf. Model. Rajarshi Guha, Debojyoti Dutta, Peter C. Jurs, Ting Chen
2006	J	`jnl`	Scalable Partitioning and Exploration of Chemical Spaces Using Geometric Hashing. J. Chem. Inf. Model. Debojyoti Dutta, Rajarshi Guha, Peter C. Jurs, Ting Chen
2005	J	`jnl`	Determining the Validity of a QSAR Model - A Classification Approach. J. Chem. Inf. Model. Rajarshi Guha, Peter C. Jurs
2005	J	`jnl`	Interpreting Computational Neural Network QSAR Models: A Measure of Descriptor Importance. J. Chem. Inf. Model. Rajarshi Guha, Peter C. Jurs
2005	J	`jnl`	Interpreting Computational Neural Network Quantitative Structure-Activity Relationship Models: A Detailed Interpretation of the Weights and Biases. J. Chem. Inf. Model. Rajarshi Guha, David T. Stanton, Peter C. Jurs
2004	J	`jnl`	Development and Use of Hydrophobic Surface Area (HSA) Descriptors for Computer-Assisted Quantitative Structure-Activity and Structure-Property Relationship Studies. J. Chem. Inf. Model. David T. Stanton, Brian E. Mattioni, James J. Knittel, Peter C. Jurs
2004	J	`jnl`	Development of Linear, Ensemble, and Nonlinear Models for the Prediction and Interpretation of the Biological Activity of a Set of PDGFR Inhibitors. J. Chem. Inf. Model. Rajarshi Guha, Peter C. Jurs
2004	J	`jnl`	Development of QSAR Models To Predict and Interpret the Biological Activity of Artemisinin Analogues. J. Chem. Inf. Model. Rajarshi Guha, Peter C. Jurs
2003	J	`jnl`	Classification of Diverse Organic Compounds That Induce Chromosomal Aberrations in Chinese Hamster Cells. J. Chem. Inf. Comput. Sci. Nathan R. McElroy, E. D. Thompson, Peter C. Jurs
2003	J	`jnl`	Classification of HIV protease inhibitors on the basis of their antiviral potency using radial basis function neural networks. J. Comput. Aided Mol. Des. Su J. Patankar, Peter C. Jurs
2003	J	`jnl`	Classification of Inhibitors of Protein Tyrosine Phosphatase 1B Using Molecular Structure Based Descriptors. J. Chem. Inf. Comput. Sci. Su J. Patankar, Peter C. Jurs
2003	J	`jnl`	Predicting the Genotoxicity of Secondary and Aromatic Amines Using Data Subsetting To Generate a Model Ensemble. J. Chem. Inf. Comput. Sci. Brian E. Mattioni, Gregory W. Kauffman, Peter C. Jurs, Laura L. Custer, Stephen K. Durham, Greg M. Pearl
2002	J	`jnl`	Development of Quantitative Structure-Activity Relationship and Classification Models for a Set of Carbonic Anhydrase Inhibitors. J. Chem. Inf. Comput. Sci. Brian E. Mattioni, Peter C. Jurs
2002	J	`jnl`	Prediction of Glass Transition Temperatures from Monomer and Repeat Unit Structure Using Computational Neural Networks. J. Chem. Inf. Comput. Sci. Brian E. Mattioni, Peter C. Jurs
2002	J	`jnl`	Prediction of Glycine/NMDA Receptor Antagonist Inhibition from Molecular Structure. J. Chem. Inf. Comput. Sci. Su J. Patankar, Peter C. Jurs
2002	J	`jnl`	QSAR/QSPR Studies Using Probabilistic Neural Networks and Generalized Regression Neural Networks. J. Chem. Inf. Comput. Sci. Philip D. Mosier, Peter C. Jurs
2001	J	`jnl`	Prediction of Aqueous Solubility of Heteroatom-Containing Organic Compounds from Molecular Structure. J. Chem. Inf. Comput. Sci. Nathan R. McElroy, Peter C. Jurs
2001	J	`jnl`	Prediction of C60 Solubilities from Solvent Molecular Structures. J. Chem. Inf. Comput. Sci. Stephen M. Danauskas, Peter C. Jurs
2001	J	`jnl`	Prediction of Surface Tension, Viscosity, and Thermal Conductivity for Common Organic Solvents Using Quantitative Structure-Property Relationships. J. Chem. Inf. Comput. Sci. Gregory W. Kauffman, Peter C. Jurs
2001	J	`jnl`	QSAR and k-Nearest Neighbor Classification Analysis of Selective Cyclooxygenase-2 Inhibitors Using Topologically-Based Numerical Descriptors. J. Chem. Inf. Comput. Sci. Gregory W. Kauffman, Peter C. Jurs
2001	J	`jnl`	QSARs for 6-Azasteroids as Inhibitors of Human Type 1 5-Reductase: Prediction of Binding Affinity and Selectivity Relative to 3-BHSD. J. Chem. Inf. Comput. Sci. Gregory A. Bakken, Peter C. Jurs
2000	J	`jnl`	Prediction of IC50 Values for ACAT Inhibitors from Molecular Structure. J. Chem. Inf. Comput. Sci. Su J. Patankar, Peter C. Jurs
2000	J	`jnl`	Prediction of Inhibition of the Sodium Ion-Proton Antiporter by Benzoylguanidine Derivatives from Molecular Structure. J. Chem. Inf. Comput. Sci. Gregory W. Kauffman, Peter C. Jurs
2000	J	`jnl`	Quantitative Structure-Property Relationships for the Prediction of Vapor Pressures of Organic Compounds from Molecular Structures. J. Chem. Inf. Comput. Sci. Heidi Engelhardt McClelland, Peter C. Jurs
1999	J	`jnl`	Prediction of Hydroxyl Radical Rate Constants from Molecular Structure. J. Chem. Inf. Comput. Sci. Gregory A. Bakken, Peter C. Jurs
1999	J	`jnl`	Prediction of Methyl Radical Addition Rate Constants from Molecular Structure. J. Chem. Inf. Comput. Sci. Gregory A. Bakken, Peter C. Jurs
1999	J	`jnl`	Prediction of Vapor Pressures of Hydrocarbons and Halohydrocarbons from Molecular Structure with a Computational Neural Network Model. J. Chem. Inf. Comput. Sci. Eric S. Goll, Peter C. Jurs
1999	J	`jnl`	Prediction of the Normal Boiling Points of Organic Compounds from Molecular Structures with a Computational Neural Network Model. J. Chem. Inf. Comput. Sci. Eric S. Goll, Peter C. Jurs
1998	J	`jnl`	Prediction of Aqueous Solubility of Organic Compounds from Molecular Structure. J. Chem. Inf. Comput. Sci. Brooke E. Mitchell, Peter C. Jurs
1998	J	`jnl`	Prediction of Critical Temperatures and Pressures of Industrially Important Organic Compounds from Molecular Structure. J. Chem. Inf. Comput. Sci. Brian E. Turner, Chandra L. Costello, Peter C. Jurs
1998	J	`jnl`	Prediction of Human Intestinal Absorption of Drug Compounds from Molecular Structure. J. Chem. Inf. Comput. Sci. Matthew D. Wessel, Peter C. Jurs, John W. Tolan, Steven M. Muskal
1998	J	`jnl`	Prediction of Infinite Dilution Activity Coefficients of Organic Compounds in Aqueous Solution from Molecular Structure. J. Chem. Inf. Comput. Sci. Brooke E. Mitchell, Peter C. Jurs
1997	J	`jnl`	Prediction of Autoignition Temperatures of Organic Compounds from Molecular Structure. J. Chem. Inf. Comput. Sci. Brooke E. Mitchell, Peter C. Jurs
1997	J	`jnl`	Prediction of Supercritical Carbon Dioxide Solubility of Organic Compounds from Molecular Structure. J. Chem. Inf. Comput. Sci. Heidi L. Engelhardt, Peter C. Jurs
1996	J	`jnl`	Computer Assisted Simulation of 13C Nuclear Magnetic Spectra of Monosaccharides. J. Chem. Inf. Comput. Sci. Brooke E. Mitchell, Peter C. Jurs
1996	J	`jnl`	Prediction of Aqueous Solubility for a Diverse Set of Heteroatom-Containing Organic Compounds Using a Quantitative Structure-Property Relationship. J. Chem. Inf. Comput. Sci. Jon M. Sutter, Peter C. Jurs
1996	J	`jnl`	Simulation of the 13C Nuclear Magnetic Resonance Spectra of Ribonucleosides Using Multiple Linear Regression Analysis and Neural Networks. J. Chem. Inf. Comput. Sci. Deborah L. Clouser, Peter C. Jurs
1995	J	`jnl`	Automated Descriptor Selection for Quantitative Structure-Activity Relationships Using Generalized Simulated Annealing. J. Chem. Inf. Comput. Sci. Jon M. Sutter, Steven L. Dixon, Peter C. Jurs
1995	J	`jnl`	Prediction of Normal Boiling Points for a Diverse Set of Industrially Important Organic Compounds from Molecular Structure. J. Chem. Inf. Comput. Sci. Matthew D. Wessel, Peter C. Jurs
1995	J	`jnl`	Prediction of Normal Boiling Points of Hydrocarbons from Molecular Structure. J. Chem. Inf. Comput. Sci. Matthew D. Wessel, Peter C. Jurs
1994	J	`jnl`	Fast Geometry Optimization Using a Modifed Extended Hückel Method: Results for Molecules Containing H, C, N, O, and F. J. Comput. Chem. Steven L. Dixon, Peter C. Jurs
1994	J	`jnl`	Prediction of Aqueous Solubility of Organic Compounds. J. Chem. Inf. Comput. Sci. Todd M. Nelson, Peter C. Jurs
1994	J	`jnl`	Prediction of boiling points and critical temperatures of industrially important organic compounds from molecular structure. J. Chem. Inf. Comput. Sci. Leanne M. Egolf, Matthew D. Wessel, Peter C. Jurs
1993	J	`jnl`	Estimation of p J. Comput. Chem. Steven L. Dixon, Peter C. Jurs
1993	J	`jnl`	Prediction of boiling points of organic heterocyclic compounds using regression and neural network techniques. J. Chem. Inf. Comput. Sci. Leanne M. Egolf, Peter C. Jurs
1992	J	`jnl`	Carbon-13 nuclear magnetic resonance spectrum simulation. J. Chem. Inf. Comput. Sci. Peter C. Jurs, Jon W. Ball, Lawrence S. Anker, Todd L. Friedman
1992	J	`jnl`	Computer-assisted prediction of normal boiling points of pyrans and pyrroles. J. Chem. Inf. Comput. Sci. David T. Stanton, Leanne M. Egolf, Peter C. Jurs, Martin G. Hicks
1992	J	`jnl`	Computer-assisted study of the relationship between molecular structure and surface tension of organic compounds. J. Chem. Inf. Comput. Sci. David T. Stanton, Peter C. Jurs
1992	J	`jnl`	Mathematica. J. Chem. Inf. Comput. Sci. Peter C. Jurs
1991	J	`jnl`	Cluster analysis of acrylates to guide sampling for toxicity testing. J. Chem. Inf. Comput. Sci. Richard G. Lawson, Peter C. Jurs
1991	J	`jnl`	Computer-assisted prediction of normal boiling points of furans, tetrahydrofurans, and thiophenes. J. Chem. Inf. Comput. Sci. David T. Stanton, Peter C. Jurs, Martin G. Hicks
1990	J	`jnl`	Cluster analysis of acrylates to guide sampling for toxicity testing. J. Chem. Inf. Comput. Sci. Richard G. Lawson, Peter C. Jurs
1990	J	`jnl`	New index for clustering tendency and its application to chemical problems. J. Chem. Inf. Comput. Sci. Richard G. Lawson, Peter C. Jurs
1988	J	`jnl`	Search for useful graph theoretical invariants of molecular structure. J. Chem. Inf. Comput. Sci. Milan Randic, Peter J. Hansen, Peter C. Jurs
1986	J	`jnl`	A simple method for the representation, quantification, and comparison of the volumes and shapes of chemical compounds. J. Chem. Inf. Comput. Sci. Terry R. Stouch, Peter C. Jurs
1985	J	`jnl`	A numerical index for characterizing data set separation. J. Chem. Inf. Comput. Sci. Diana Hunter LaFemina, Peter C. Jurs
1985	J	`jnl`	Computer-assisted studies of molecular structure biological activity relationships. J. Chem. Inf. Comput. Sci. Peter C. Jurs, Terry R. Stouch, Maria Czerwinski, Javier N. Narvaez
1985	J	`jnl`	Monte Carlo studies of the classifications made by nonparametric linear discriminant functions. J. Chem. Inf. Comput. Sci. Terry R. Stouch, Peter C. Jurs
1985	J	`jnl`	Monte Carlo studies of the classifications made by nonparametric linear discriminant functions. 2. Effects of nonideal data. J. Chem. Inf. Comput. Sci. Terry R. Stouch, Peter C. Jurs
1979	J	`jnl`	Computer-Assisted Computation of Partition Coefficients from Molecular Structures Using Fragment Constants. J. Chem. Inf. Comput. Sci. J. T. Chou, Peter C. Jurs
1976	J	`jnl`	ADAPT: A Computer System for Automated Data Analysis Using Pattern Recognition Techniques. J. Chem. Inf. Comput. Sci. A. J. Stuper, Peter C. Jurs
1976	J	`jnl`	Generation of Descriptors from Molecular Structures. J. Chem. Inf. Comput. Sci. W. E. Brugger, A. J. Stuper, Peter C. Jurs
1976	J	`jnl`	Reliability of Nonparametric Linear Classifers. J. Chem. Inf. Comput. Sci. A. J. Stuper, Peter C. Jurs
1972	J	`jnl`	Iterative least squares development of discriminant functions for spectroscopic data analysis by pattern recognition. Pattern Recognit. Lucio Pietrantonio, Peter C. Jurs