Peter C. Jurs

Publication Activity (10 Years)

Years Active: 1972-2006
Publications (10 Years): 0

Publications

Rajarshi Guha, Debojyoti Dutta, Peter C. Jurs, Ting Chen
Local Lazy Regression: Making Use of the Neighborhood to Improve QSAR Predictions. J. Chem. Inf. Model. 46 (4) (2006)
Debojyoti Dutta, Rajarshi Guha, Peter C. Jurs, Ting Chen
Scalable Partitioning and Exploration of Chemical Spaces Using Geometric Hashing. J. Chem. Inf. Model. 46 (1) (2006)
Rajarshi Guha, Debojyoti Dutta, Peter C. Jurs, Ting Chen
-NN Curves: An Intuitive Approach to Outlier Detection Using a Distance Based Method. J. Chem. Inf. Model. 46 (4) (2006)
Rajarshi Guha, David T. Stanton, Peter C. Jurs
Interpreting Computational Neural Network Quantitative Structure-Activity Relationship Models: A Detailed Interpretation of the Weights and Biases. J. Chem. Inf. Model. 45 (4) (2005)
Rajarshi Guha, Peter C. Jurs
Interpreting Computational Neural Network QSAR Models: A Measure of Descriptor Importance. J. Chem. Inf. Model. 45 (3) (2005)
Rajarshi Guha, Peter C. Jurs
Determining the Validity of a QSAR Model - A Classification Approach. J. Chem. Inf. Model. 45 (1) (2005)
Rajarshi Guha, Peter C. Jurs
Development of QSAR Models To Predict and Interpret the Biological Activity of Artemisinin Analogues. J. Chem. Inf. Model. 44 (4) (2004)
David T. Stanton, Brian E. Mattioni, James J. Knittel, Peter C. Jurs
Development and Use of Hydrophobic Surface Area (HSA) Descriptors for Computer-Assisted Quantitative Structure-Activity and Structure-Property Relationship Studies. J. Chem. Inf. Model. 44 (3) (2004)
Rajarshi Guha, Peter C. Jurs
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. 44 (6) (2004)
Brian E. Mattioni, Gregory W. Kauffman, Peter C. Jurs, Laura L. Custer, Stephen K. Durham, Greg M. Pearl
Predicting the Genotoxicity of Secondary and Aromatic Amines Using Data Subsetting To Generate a Model Ensemble. J. Chem. Inf. Comput. Sci. 43 (3) (2003)
Su J. Patankar, Peter C. Jurs
Classification of HIV protease inhibitors on the basis of their antiviral potency using radial basis function neural networks. J. Comput. Aided Mol. Des. 17 (2-4) (2003)
Su J. Patankar, Peter C. Jurs
Classification of Inhibitors of Protein Tyrosine Phosphatase 1B Using Molecular Structure Based Descriptors. J. Chem. Inf. Comput. Sci. 43 (3) (2003)
Nathan R. McElroy, E. D. Thompson, Peter C. Jurs
Classification of Diverse Organic Compounds That Induce Chromosomal Aberrations in Chinese Hamster Cells. J. Chem. Inf. Comput. Sci. 43 (6) (2003)
Brian E. Mattioni, Peter C. Jurs
Prediction of Glass Transition Temperatures from Monomer and Repeat Unit Structure Using Computational Neural Networks. J. Chem. Inf. Comput. Sci. 42 (2) (2002)
Philip D. Mosier, Peter C. Jurs
QSAR/QSPR Studies Using Probabilistic Neural Networks and Generalized Regression Neural Networks. J. Chem. Inf. Comput. Sci. 42 (6) (2002)
Su J. Patankar, Peter C. Jurs
Prediction of Glycine/NMDA Receptor Antagonist Inhibition from Molecular Structure. J. Chem. Inf. Comput. Sci. 42 (5) (2002)
Brian E. Mattioni, Peter C. Jurs
Development of Quantitative Structure-Activity Relationship and Classification Models for a Set of Carbonic Anhydrase Inhibitors. J. Chem. Inf. Comput. Sci. 42 (1) (2002)
Gregory W. Kauffman, Peter C. Jurs
Prediction of Surface Tension, Viscosity, and Thermal Conductivity for Common Organic Solvents Using Quantitative Structure-Property Relationships. J. Chem. Inf. Comput. Sci. 41 (2) (2001)
Stephen M. Danauskas, Peter C. Jurs
Prediction of C60 Solubilities from Solvent Molecular Structures. J. Chem. Inf. Comput. Sci. 41 (2) (2001)
Gregory W. Kauffman, Peter C. Jurs
QSAR and k-Nearest Neighbor Classification Analysis of Selective Cyclooxygenase-2 Inhibitors Using Topologically-Based Numerical Descriptors. J. Chem. Inf. Comput. Sci. 41 (6) (2001)
Nathan R. McElroy, Peter C. Jurs
Prediction of Aqueous Solubility of Heteroatom-Containing Organic Compounds from Molecular Structure. J. Chem. Inf. Comput. Sci. 41 (5) (2001)
Gregory A. Bakken, Peter C. Jurs
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. 41 (5) (2001)
Gregory W. Kauffman, Peter C. Jurs
Prediction of Inhibition of the Sodium Ion-Proton Antiporter by Benzoylguanidine Derivatives from Molecular Structure. J. Chem. Inf. Comput. Sci. 40 (3) (2000)
Heidi Engelhardt McClelland, Peter C. Jurs
Quantitative Structure-Property Relationships for the Prediction of Vapor Pressures of Organic Compounds from Molecular Structures. J. Chem. Inf. Comput. Sci. 40 (4) (2000)
Su J. Patankar, Peter C. Jurs
Prediction of IC50 Values for ACAT Inhibitors from Molecular Structure. J. Chem. Inf. Comput. Sci. 40 (3) (2000)
Gregory A. Bakken, Peter C. Jurs
Prediction of Hydroxyl Radical Rate Constants from Molecular Structure. J. Chem. Inf. Comput. Sci. 39 (6) (1999)
Eric S. Goll, Peter C. Jurs
Prediction of Vapor Pressures of Hydrocarbons and Halohydrocarbons from Molecular Structure with a Computational Neural Network Model. J. Chem. Inf. Comput. Sci. 39 (6) (1999)
Gregory A. Bakken, Peter C. Jurs
Prediction of Methyl Radical Addition Rate Constants from Molecular Structure. J. Chem. Inf. Comput. Sci. 39 (3) (1999)
Eric S. Goll, Peter C. Jurs
Prediction of the Normal Boiling Points of Organic Compounds from Molecular Structures with a Computational Neural Network Model. J. Chem. Inf. Comput. Sci. 39 (6) (1999)
Brooke E. Mitchell, Peter C. Jurs
Prediction of Aqueous Solubility of Organic Compounds from Molecular Structure. J. Chem. Inf. Comput. Sci. 38 (3) (1998)
Brooke E. Mitchell, Peter C. Jurs
Prediction of Infinite Dilution Activity Coefficients of Organic Compounds in Aqueous Solution from Molecular Structure. J. Chem. Inf. Comput. Sci. 38 (2) (1998)
Matthew D. Wessel, Peter C. Jurs, John W. Tolan, Steven M. Muskal
Prediction of Human Intestinal Absorption of Drug Compounds from Molecular Structure. J. Chem. Inf. Comput. Sci. 38 (4) (1998)
Brian E. Turner, Chandra L. Costello, Peter C. Jurs
Prediction of Critical Temperatures and Pressures of Industrially Important Organic Compounds from Molecular Structure. J. Chem. Inf. Comput. Sci. 38 (4) (1998)
Brooke E. Mitchell, Peter C. Jurs
Prediction of Autoignition Temperatures of Organic Compounds from Molecular Structure. J. Chem. Inf. Comput. Sci. 37 (3) (1997)
Heidi L. Engelhardt, Peter C. Jurs
Prediction of Supercritical Carbon Dioxide Solubility of Organic Compounds from Molecular Structure. J. Chem. Inf. Comput. Sci. 37 (3) (1997)
Brooke E. Mitchell, Peter C. Jurs
Computer Assisted Simulation of 13C Nuclear Magnetic Spectra of Monosaccharides. J. Chem. Inf. Comput. Sci. 36 (1) (1996)
Deborah L. Clouser, Peter C. Jurs
Simulation of the 13C Nuclear Magnetic Resonance Spectra of Ribonucleosides Using Multiple Linear Regression Analysis and Neural Networks. J. Chem. Inf. Comput. Sci. 36 (2) (1996)
Jon M. Sutter, Peter C. Jurs
Prediction of Aqueous Solubility for a Diverse Set of Heteroatom-Containing Organic Compounds Using a Quantitative Structure-Property Relationship. J. Chem. Inf. Comput. Sci. 36 (1) (1996)
Jon M. Sutter, Steven L. Dixon, Peter C. Jurs
Automated Descriptor Selection for Quantitative Structure-Activity Relationships Using Generalized Simulated Annealing. J. Chem. Inf. Comput. Sci. 35 (1) (1995)
Matthew D. Wessel, Peter C. Jurs
Prediction of Normal Boiling Points of Hydrocarbons from Molecular Structure. J. Chem. Inf. Comput. Sci. 35 (1) (1995)
Matthew D. Wessel, Peter C. Jurs
Prediction of Normal Boiling Points for a Diverse Set of Industrially Important Organic Compounds from Molecular Structure. J. Chem. Inf. Comput. Sci. 35 (5) (1995)
Todd M. Nelson, Peter C. Jurs
Prediction of Aqueous Solubility of Organic Compounds. J. Chem. Inf. Comput. Sci. 34 (3) (1994)
Leanne M. Egolf, Matthew D. Wessel, Peter C. Jurs
Prediction of boiling points and critical temperatures of industrially important organic compounds from molecular structure. J. Chem. Inf. Comput. Sci. 34 (4) (1994)
Steven L. Dixon, Peter C. Jurs
Fast Geometry Optimization Using a Modifed Extended Hückel Method: Results for Molecules Containing H, C, N, O, and F. J. Comput. Chem. 15 (7) (1994)
Leanne M. Egolf, Peter C. Jurs
Prediction of boiling points of organic heterocyclic compounds using regression and neural network techniques. J. Chem. Inf. Comput. Sci. 33 (4) (1993)
Steven L. Dixon, Peter C. Jurs
for organic oxyacids using calculated atomic charges. J. Comput. Chem. 14 (12) (1993)
Peter C. Jurs, Jon W. Ball, Lawrence S. Anker, Todd L. Friedman
Carbon-13 nuclear magnetic resonance spectrum simulation. J. Chem. Inf. Comput. Sci. 32 (4) (1992)
David T. Stanton, Leanne M. Egolf, Peter C. Jurs, Martin G. Hicks
Computer-assisted prediction of normal boiling points of pyrans and pyrroles. J. Chem. Inf. Comput. Sci. 32 (4) (1992)
David T. Stanton, Peter C. Jurs
Computer-assisted study of the relationship between molecular structure and surface tension of organic compounds. J. Chem. Inf. Comput. Sci. 32 (1) (1992)
Peter C. Jurs
Mathematica. J. Chem. Inf. Comput. Sci. 32 (4) (1992)
David T. Stanton, Peter C. Jurs, Martin G. Hicks
Computer-assisted prediction of normal boiling points of furans, tetrahydrofurans, and thiophenes. J. Chem. Inf. Comput. Sci. 31 (2) (1991)
Richard G. Lawson, Peter C. Jurs
Cluster analysis of acrylates to guide sampling for toxicity testing. J. Chem. Inf. Comput. Sci. 31 (2) (1991)
Richard G. Lawson, Peter C. Jurs
Cluster analysis of acrylates to guide sampling for toxicity testing. J. Chem. Inf. Comput. Sci. 30 (2) (1990)
Richard G. Lawson, Peter C. Jurs
New index for clustering tendency and its application to chemical problems. J. Chem. Inf. Comput. Sci. 30 (1) (1990)
Milan Randic, Peter J. Hansen, Peter C. Jurs
Search for useful graph theoretical invariants of molecular structure. J. Chem. Inf. Comput. Sci. 28 (2) (1988)
Terry R. Stouch, Peter C. Jurs
A simple method for the representation, quantification, and comparison of the volumes and shapes of chemical compounds. J. Chem. Inf. Comput. Sci. 26 (1) (1986)
Terry R. Stouch, Peter C. Jurs
Monte Carlo studies of the classifications made by nonparametric linear discriminant functions. 2. Effects of nonideal data. J. Chem. Inf. Comput. Sci. 25 (2) (1985)
Peter C. Jurs, Terry R. Stouch, Maria Czerwinski, Javier N. Narvaez
Computer-assisted studies of molecular structure biological activity relationships. J. Chem. Inf. Comput. Sci. 25 (3) (1985)
Diana Hunter LaFemina, Peter C. Jurs
A numerical index for characterizing data set separation. J. Chem. Inf. Comput. Sci. 25 (4) (1985)
Terry R. Stouch, Peter C. Jurs
Monte Carlo studies of the classifications made by nonparametric linear discriminant functions. J. Chem. Inf. Comput. Sci. 25 (1) (1985)
J. T. Chou, Peter C. Jurs
Computer-Assisted Computation of Partition Coefficients from Molecular Structures Using Fragment Constants. J. Chem. Inf. Comput. Sci. 19 (3) (1979)
A. J. Stuper, Peter C. Jurs
ADAPT: A Computer System for Automated Data Analysis Using Pattern Recognition Techniques. J. Chem. Inf. Comput. Sci. 16 (2) (1976)
A. J. Stuper, Peter C. Jurs
Reliability of Nonparametric Linear Classifers. J. Chem. Inf. Comput. Sci. 16 (4) (1976)
W. E. Brugger, A. J. Stuper, Peter C. Jurs
Generation of Descriptors from Molecular Structures. J. Chem. Inf. Comput. Sci. 16 (2) (1976)
Lucio Pietrantonio, Peter C. Jurs
Iterative least squares development of discriminant functions for spectroscopic data analysis by pattern recognition. Pattern Recognit. 4 (4) (1972)