P. Jurs

发表

Structure-activity studies of musk odorants using pattern recognition: monocyclic nitrobenzenes

C. Ham, P. Jurs, 1985 .

Structure-activity studies of musk odorants using pattern recognition: bicyclo- and tricyclo-benzenoids

P. Jurs, J. Narvaez, B. Lavine, 1986 .

Computerized learning machines applied to chemical problems. Interpretation of infrared spectrometry data

B. Kowalski, P. Jurs, T. Isenhour, 1969 .

Prediction of gas chromatographic retention indices of alkylbenzenes

P. Jurs, J. Sutter, T. A. Peterson, 1997 .

Computational methods for the analysis of chemical sensor array data from volatile analytes.

Gregory A. Bakken, P. Jurs, G. A. Bakken, 2000, Chemical reviews.

Computer-Enhanced Analytical Spectroscopy

P. Jurs, T. Isenhour, H. Meuzelaar, 1988 .

Extraction of important molecular features of musk compounds using pattern recognition techniques.

P. Jurs, W. E. Brugger, 1977, Journal of agricultural and food chemistry.

Development of Linear, Ensemble, and Nonlinear Models for the Prediction and Interpretation of the Biological Activity of a Set of PDGFR Inhibitors.

P. Jurs, R. Guha, 2005 .

QSAR and k-Nearest Neighbor Classification Analysis of Selective Cyclooxygenase-2 Inhibitors Using Topologically-Based Numerical Descriptors

Gregory W. Kauffman, Peter C. Jurs, P. Jurs, 2001, J. Chem. Inf. Comput. Sci..

Prediction of IC50 Values for ACAT Inhibitors from Molecular Structure.

P. Jurs, S. Patankar, 2000 .

Prediction of fathead minnow acute toxicity of organic compounds from molecular structure.

P. Jurs, D. Eldred, C. L. Weikel, 1999, Chemical research in toxicology.

Classification of multidrug-resistance reversal agents using structure-based descriptors and linear discriminant analysis.

P. Jurs, G. A. Bakken, 2000, Journal of medicinal chemistry.

Prediction of Inhibition of the Sodium Ion—Proton Antiporter by Benzoylguanidine Derivatives from Molecular Structure.

Gregory W. Kauffman, P. Jurs, 2000 .

Quantitative structure‐activity relationships for toxicity of phenols using regression analysis and computational neural networks

Jon W. Ball, P. Jurs, Lu Xu, 1994 .

Prediction of Reduced Ion Mobility Constants from Structural Information Using Multiple Linear Regression Analysis and Computational Neural Networks

Matthew D. Wessel, P. Jurs, M. Wessel, 1994 .

Prediction of Human Intestinal Absorption of Drug Compounds from Molecular Structure

Peter C. Jurs, Steven M. Muskal, Matthew D. Wessel, 1998, J. Chem. Inf. Comput. Sci..

Prediction of carbon-13 nuclear magnetic resonance chemical shifts

Dennis H. Smith, P. Jurs, 1978 .

Computer-assisted prediction of gas chromatographic retention indexes of pyrazines

P. Jurs, D. T. Stanton, 1989 .

Development and use of charged partial surface area structural descriptors in computer-assisted quantitative structure-property relationship studies

P. Jurs, D. T. Stanton, 1990 .

Prediciton of carbon-13 nuclear magnetic resonance chemical shifts by artificial neural networks

Lawrence S. Anker, P. Jurs, L. Anker, 1992 .

Prediction of gas and liquid chromatographic retention indexes of polyhalogenated biphenyls

P. Jurs, M. N. Hasan, 1990 .

Prediction of reduced ion mobility constants of organic compounds from molecular structure.

Matthew D. Wessel, P. Jurs, J. Sutter, 1996, Analytical chemistry.

Studies of Chemical Structure-Biological Activity Relations Using Pattern Recognition

P. Jurs, J. Chou, M. Yuan, 1979 .

Computer assisted studies of chemical structure and biological function

A. J. Stuper, P. Jurs, B. Brugger, 1979 .

Chance Factors in Nonparametric Linear Discriminant Studies

P. Jurs, T. Stouch, 1986 .

Detection of hazardous vapors including mixtures using pattern recognition analysis of responses from surface acoustic wave devices.

P. Jurs, J. Grate, S. Rose-Pehrsson, 1988, Analytical chemistry.

Detection of hazardous gases and vapors: pattern recognition analysis of data from an electrochemical sensor array

P. Jurs, J. Stetter, S. Rose, 1986 .

The Probability of Dichotomization by a Binary Linear Classifier as a Function of Training Set Population Distribution

P. Jurs, E. Whalen-Pedersen, 1979 .

Identification of Multiple Analytes Using an Optical Sensor Array and Pattern Recognition Neural Networks

John S. Kauer, David R. Walt, Peter C. Jurs, 1997 .

Clustering Tendency Applied to Chemical Feature Selection

R. G. Lawson, P. Jurs, 1990 .

Computational Methods for the Analysis of Chemical Sensor Array Data from Volatile Analytes

Peter C. Jurs, Gregory A. Bakken, P. Jurs, 2000 .

Pattern recognition used to investigate multivariate data in analytical chemistry.

P. Jurs, 1986, Science.

Intranasal trigeminal stimulation from odorous volatiles: Psychometric responses from anosmic and normal humans

P. Jurs, R. Doty, L. Lowry, 1978, Physiology & Behavior.

Interpreting Computational Neural Network QSAR Models: A Measure of Descriptor Importance

P. Jurs, R. Guha, 2005, J. Chem. Inf. Model..

Neural network classification and quantification of organic vapors based on fluorescence data from a fiber-optic sensor array.

P. Jurs, J. Sutter, 1997, Analytical chemistry.

Prediction of peptide ion collision cross sections from topological molecular structure and amino acid parameters.

P. Jurs, P. Mosier, A. E. Counterman, 2002, Analytical chemistry.

Chemical Applications of Graph Theory: Part I. Fundamentals and Topological Indices.

P. Jurs, P. J. Hansen, 1988 .

Prediction of the clearing temperatures of a series of liquid crystals from molecular structure

P. Jurs, Stephen R. Johnson and, 1999 .

Automated selection of regression models using neural networks for carbon-13 NMR spectral predictions

Jon W. Ball, P. Jurs, 1993 .

Simulation of 13C nuclear magnetic resonance spectra of tetrahydropyrans using regression analysis and neural networks

P. Jurs, D. L. Clouser, 1994 .

Computer-assisted studies of structure-activity relationships of N-nitroso compounds using pattern recognition.

P. Jurs, S. Rose, P C Jurs, 1982, Journal of medicinal chemistry.

QSAR and classification of murine and human soluble epoxide hydrolase inhibition by urea-like compounds.

Nathan R. McElroy, Bruce D Hammock, Peter C Jurs, 2003, Journal of medicinal chemistry.

Correlation of odor intensities with structural properties of odorants

Peter C. Jurs, P. Jurs, P. Edwards, 1989 .

Quantitative structure-property relationship studies of the odor threshold of odor active compounds

Peter C. Jurs, Lawrence S. Anker, P. Jurs, 1991 .

Pattern recognition analysis of optical sensor array data to detect nitroaromatic compound vapors

Gregory W. Kauffman, Peter C. Jurs, Keith J. Albert, 2001 .

Weighted least squares curve fitting using functional transformations

P. Jurs, 1970 .

On a Fragment Approach to Structure-activity Correlations

M. Randic, P. Jurs, 1989 .

Assessing the reliability of a QSAR model's predictions.

Peter C Jurs, Linnan He, P. Jurs, 2005, Journal of molecular graphics & modelling.

Quantitative Structure–Property Relationships (QSPR)

Peter C. Jurs, P. Jurs, 2002 .

Simulation of polysaccharide carbon-13 nuclear magnetic resonance spectra using regression analysis and neural networks

Peter C. Jurs, Jon W. Ball, P. Jurs, 1993 .

Chemometrics and Multivariate Analysis in Analytical Chemistry

P. Jurs, 2007 .

Structure-activity relationship studies of retinoid cancer inhibition

P. Jurs, E. Jaeger, T. Stouch, 1993 .

Automated chemical structure analysis of organic molecules with a molecular structure generator and pattern recognition techniques

P. Jurs, H. Abe, 1975 .

Simulation of carbon-13 nuclear magnetic resonance spectra of alkyl-substituted aromatic compounds

P. Jurs, G. P. Sutton, 1990 .

Molecular structure input program using a storage cathode ray tube terminal

P. Jurs, W. E. Brugger, 1975 .

Prediction of Physicochemical Properties of Organic Compounds from Molecular Structure

P. Jurs, M. N. Hasan, P. J. Hansen, 1988 .

Generation of mass spectra using pattern recognition techniques

P. Jurs, G. Zander, 1975 .

Computer simulation of the quadrupole mass filter

P. Jurs, J. Campana, 1980 .

Computer-assisted structure-activity relationship analysis: pattern recognition studies on hypolipidemic arylpropionic acid derivatives

E. Jaeger, P. Jurs, V. Gombar, 1988 .

Development of Linear, Ensemble, and Nonlinear Models for the Prediction and Interpretation of the Biological Activity of a Set of PDGFR Inhibitors

Rajarshi Guha, Peter C. Jurs, P. Jurs, 2004, J. Chem. Inf. Model..

Computerized learning machines applied to chemical problems. Molecular formula determination from low resolution mass spectrometry

Thomas L. Isenhour, Bruce R. Kowalski, Peter C. Jurs, 1969 .

Multicategory prediction using arrays of binary pattern classifiers

P. Jurs, W. Felty, 1973 .

Generation of Simulated Mass Spectra of Small Organic Molecules by Computerized Pattern Recognition Techniques

P. Jurs, Joseph Schechter, 1973 .

A Structure‐Activity Relationship for the Binding of Acridine‐4‐Carboxamides to DNA

P. Jurs, S. R. Moyer, 1990 .

Nonparametric feature selection in pattern recognition applied to chemical problems

A. J. Stuper, P. Jurs, G. Zander, 1975 .

Prediction of Acute Mammalian Toxicity from Molecular Structure for a Diverse Set of Substituted Anilines Using Regression Analysis and Computational Neural Networks

P. Jurs, S. R. Johnson, 2007 .

Cluster analysis of acrylates to guide sampling for toxicity testing

Peter C. Jurs, Richard G. Lawson, R. G. Lawson, 1990, J. Chem. Inf. Comput. Sci..

Computer-assisted structure-activity studies of chemical carcinogens. Aromatic amines.

P. Jurs, P C Jurs, K Yuta, 1981, Journal of medicinal chemistry.

Simulation of carbon-13 nuclear magnetic resonance spectra of quinolines and isoquinolines

Peter C. Jurs, P. Jurs, Martha L. Ranc, 1991 .

Determination of topological similarity of carbon atoms in the simulation of carbon-13 nuclear magnetic resonance spectra

Peter C. Jurs, Gary W. Small, G. W. Small, 1984 .

Efficient Monte Carlo Generation of Self‐Avoiding Polymers

P. Jurs, J. Reissner, 1971 .

Prediction of gas chromatographic retention data for hydrocarbons from naphthas

P. Jurs, T. Woloszyn, 1993 .

Estimation of pKa for organic oxyacids using calculated atomic charges

Peter C. Jurs, Steven L. Dixon, S. L. Dixon, 1993, J. Comput. Chem..

Prediction of Surface Tension, Viscosity, and Thermal Conductivity for Common Organic Solvents Using Quantitative Structure-Property Relationships

Gregory W. Kauffman, Peter C. Jurs, P. Jurs, 2001, J. Chem. Inf. Comput. Sci..

Prediction of Methyl Radical Addition Rate Constants from Molecular Structure

Peter C. Jurs, Gregory A. Bakken, P. Jurs, 1999, J. Chem. Inf. Comput. Sci..

Simulation of carbon-13 nuclear magnetic resonance spectra of methyl-substituted norbornan-2-ols

P. Jurs, D. Egolf, E. Brockett, 1988 .

Principles and applications of a research-oriented gas chromatography—mass spectrometry data system

P. Jurs, T. Risby, J. Campana, 1979 .

Computer Assisted Simulation of 13C Nuclear Magnetic Spectra of Monosaccharides

Peter C. Jurs, Brooke E. Mitchell, P. Jurs, 1996, J. Chem. Inf. Comput. Sci..

Prediction of olefin boiling points from molecular structure

Peter C. Jurs, P. Jurs, P. J. Hansen, 1987 .

Prediction of gas chromatographic retention indexes of selected olefins

Peter C. Jurs, P. Jurs, R. H. Rohrbaugh, 1985 .

Quantitative structure-retention relationship studies of sulfur vesicants

Peter C. Jurs, P. Jurs, Thomas F. Woloszyn, 1992 .

Quantitative structure-retention relationship studies of odor-active aliphatic compounds with oxygen-containing functional groups.

P. Jurs, L. Anker, P C Jurs, 1990, Analytical chemistry.

Prediction of dihydrofolate reductase inhibition and selectivity using computational neural networks and linear discriminant analysis.

Brian E. Mattioni, Peter C Jurs, P. Jurs, 2003, Journal of molecular graphics & modelling.

QSAR/QSPR Studies Using Probabilistic Neural Networks and Generalized Regression Neural Networks

Peter C. Jurs, Philip D. Mosier, P. Jurs, 2002, J. Chem. Inf. Comput. Sci..

Quantitative structure-retention relationships studies of polychlorinated dibenzofurans on gas chromatographic stationary phases of varying polarity

P. Jurs, Mark D. Needham, K. Adams, 1992 .

Chemical applications of graph theory. Part II. Isomer enumeration

P. Jurs, P. J. Hansen, 1988 .

Prediction of Infinite Dilution Activity Coefficients of Organic Compounds in Aqueous Solution from Molecular Structure

Peter C. Jurs, Brooke E. Mitchell, P. Jurs, 1998, J. Chem. Inf. Comput. Sci..

Prediction of Supercritical Carbon Dioxide Solubility of Organic Compounds from Molecular Structure

Peter C. Jurs, Heidi L. Engelhardt, P. Jurs, 1997, J. Chem. Inf. Comput. Sci..

Application of pyrolysis/gas chromatography/pattern recognition to the detection of cystic fibrosis heterozygotes.

B K Lavine, P. Jurs, B. Lavine, 1985, Analytical chemistry.

Computer-assisted structure-activity studies of chemical carcinogens: a polycyclic aromatic hydrocarbon data set.

P. Jurs, M. Yuan, P C Jurs, 1980, Toxicology and Applied Pharmacology.

Quantitative structure-retention and structure-odor intensity relationships for a diverse group of odor-active compounds.

P. Jurs, L. M. Egolf, 1993, Analytical chemistry.

Classification of HIV protease inhibitors on the basis of their antiviral potency using radial basis function neural networks

Peter C. Jurs, Su J. Patankar, P. Jurs, 2003, J. Comput. Aided Mol. Des..

Automated selection of models for the simulation of carbon-13 nuclear magnetic resonance spectra

Terry R. Stouch, Peter C. Jurs, Gary W. Small, 1984 .

Simulation of carbon-13 nuclear magnetic resonance spectra of cycloalkanols with computer-based structural descriptors

Peter C. Jurs, Gary W. Small, G. W. Small, 1983 .

Chemistry: The Molecular Science

Peter C. Jurs, Conrad L. Stanitski, P. Jurs, 2001 .

Investigation of combined patterns from diverse analytical data using computerized learning machines

Bruce R. Kowalski, Charles N. Reilley, Peter C. Jurs, 1969 .

Computer-assisted prediction of gas chromatographic retention times of polychlorinated biphenyls.

P. Jurs, M. N. Hasan, P C Jurs, 1988, Analytical chemistry.

Quantitative structure-retention relationships studies of polychlorinated dibenzodioxins on gas chromatographic stationary phases of varying polarity

P. Jurs, Mark D. Needham, 1992 .

Descriptions of molecular shape applied in studies of structure/activity and structure/property relationships

Peter C. Jurs, P. Jurs, R. H. Rohrbaugh, 1987 .

New index for clustering tendency and its application to chemical problems

Peter C. Jurs, Richard G. Lawson, R. G. Lawson, 1990, J. Chem. Inf. Comput. Sci..

Computer Assisted Studies of Structure-Activity Relations Using Pattern Recognition

Peter C. Jurs, P. Jurs, 1983 .

Simulation of carbon-13 nuclear magnetic resonance spectra of alkyl-substituted cyclohexanones and decalones

P. Jurs, G. P. Sutton, 1989 .

Calculation of linear temperature programmed capillary gas chromatographic retention indexes of polycyclic aromatic compounds

Peter C. Jurs, P. Jurs, E. Whalen-Pedersen, 1981 .

Classification of Inhibitors of Protein Tyrosine Phosphatase 1B Using Molecular Structure Based Descriptors

Peter C. Jurs, Su J. Patankar, P. Jurs, 2003, J. Chem. Inf. Comput. Sci..

Fourier and Hadamard Transforms in Pattern Recognition

Charles L. Wilkins, Peter C. Jurs, P. Jurs, 1978 .

Iterative least squares development of discriminant functions for spectroscopic data analysis by pattern recognition

Peter C. Jurs, Lucio Pietrantonio, P. Jurs, 1972, Pattern Recognit..

Prediction of IC50 Values for ACAT Inhibitors from Molecular Structure

Peter C. Jurs, Su J. Patankar, P. Jurs, 2000, J. Chem. Inf. Comput. Sci..

Prediction of Aqueous Solubility of Organic Compounds from Molecular Structure

Peter C. Jurs, Brooke E. Mitchell, P. Jurs, 1998, J. Chem. Inf. Comput. Sci..

Computer-assisted studies of molecular structure and genotoxic activity by pattern recognition techniques.

P. Jurs, T. Stouch, 1985, Environmental health perspectives.

Fast geometry optimization using a modified extended Hückel method: Results for molecules containing H, C, N, O, and F

Peter C. Jurs, Steven L. Dixon, S. L. Dixon, 1994, J. Comput. Chem..

Predicting the genotoxicity of thiophene derivatives from molecular structure.

Peter C Jurs, Philip D Mosier, Laura L Custer, 2003, Chemical research in toxicology.

Prediction of Glass Transition Temperatures from Monomer and Repeat Unit Structure Using Computational Neural Networks

Peter C. Jurs, Brian E. Mattioni, P. Jurs, 2002, J. Chem. Inf. Comput. Sci..

Prediction of Hydroxyl Radical Rate Constants from Molecular Structure

Peter C. Jurs, Gregory A. Bakken, P. Jurs, 1999, J. Chem. Inf. Comput. Sci..

Quantitative Structure‐Property Relationships

Peter C. Jurs, P. Jurs, 2008 .

The Use of Partial Molal Entropies and Free Energies in the Characterization of Gas Chromatographic Stationary Phases

P. Jurs, T. Risby, C. E. Figgins, 1976 .

Use of thermodynamic solubility parameters for the characterization of liquid phases

P. Jurs, T. Risby, B. Reinbold, 1974 .

Molecular shape and the prediction of high-performance liquid chromatographic retention indexes of polycyclic aromatic hydrocarbons.

P. Jurs, R. H. Rohrbaugh, P C Jurs, 1987, Analytical chemistry.

Structural analysis of polychlorinated biphenyls from carbon-13 nuclear magnetic resonance spectra

P. Jurs, D. Egolf, 1990 .

Mass spectral feature selection and structural correlations using computerized learning machines

Peter C. Jurs, P. Jurs, 1970 .

Prediction of gas chromatographic retention indexes for diverse drug compounds.

P. Jurs, R. H. Rohrbaugh, 1988, Analytical chemistry.

Automated Descriptor Selection for Quantitative Structure-Activity Relationships Using Generalized Simulated Annealing

Peter C. Jurs, Steven L. Dixon, Jon M. Sutter, 1995, J. Chem. Inf. Comput. Sci..

Classification of crude oil gas chromatograms by pattern recognition techniques

P. C. Jurs, P. Jurs, H. A. Clark, 1979 .

Qualitative determination of petroleum sample type from gas chromatograms using pattern recognition techniques

P. C. Jurs, P. Jurs, H. A. Clark, 1975 .

Scalable Partitioning and Exploration of Chemical Spaces Using Geometric Hashing

Ting Chen, Rajarshi Guha, Debojyoti Dutta, 2006, J. Chem. Inf. Model..

Prediction of boiling points of alcohols from molecular structure

Peter C. Jurs, P. Jurs, Frank C. Smeeks, 1990 .

Taxonomy based on chemical constitution: Differentiation of Africanized honey‐bees from European honey‐bees

P. Jurs, B. Lavine, D. Henry, 1988 .

Prediction of Aqueous Solubility of Heteroatom-Containing Organic Compounds from Molecular Structure

Peter C. Jurs, Nathan R. McElroy, P. Jurs, 2001, J. Chem. Inf. Comput. Sci..

Prediction of Aqueous Solubility for a Diverse Set of Heteroatom-Containing Organic Compounds Using a Quantitative Structure-Property Relationship

Peter C. Jurs, Jon M. Sutter, P. Jurs, 1996, J. Chem. Inf. Comput. Sci..

Prediction of Aqueous Solubility of Organic Compounds

Peter C. Jurs, Todd M. Nelson, P. Jurs, 1994, J. Chem. Inf. Comput. Sci..

Predicting the genotoxicity of polycyclic aromatic compounds from molecular structure with different classifiers.

Peter C Jurs, Laura L Custer, Linnan He, 2003, Chemical research in toxicology.

Development of binary classification of structural chromosome aberrations for a diverse set of organic compounds from molecular structure.

P. Jurs, P C Jurs, E D Thompson, 2003, Chemical research in toxicology.

Generation of QSAR sets with a self-organizing map.

Rajarshi Guha, Jon R Serra, Peter C Jurs, 2004, Journal of molecular graphics & modelling.

Electronic factors and acridine frameshift mutagenicity--a pattern recognition study.

P. Jurs, B. Lavine, D. Henry, 1987, Mutation research.

Chemical applications of pattern recognition

Thomas L. Isenhour, Peter C. Jurs, P. Jurs, 1975 .

Isobutane chemical ionization mass spectra of volatile lanthanide chelates

P. Jurs, T. Risby, A. Yergey, 1974 .

Introduction to computer programming for chemists

Thomas L. Isenhour, Peter C. Jurs, P. Jurs, 1972 .

Development of Quantitative Structure-Activity Relationship and Classification Models for a Set of Carbonic Anhydrase Inhibitors

Peter C. Jurs, Brian E. Mattioni, P. Jurs, 2002, J. Chem. Inf. Comput. Sci..

Search for useful graph theoretical invariants of molecular structure

Milan Randic, Peter C. Jurs, Peter J. Hansen, 1988, Journal of chemical information and computer sciences.

Computer-assisted structure-activity studies of chemical carcinogens. A heterogeneous data set.

P. Jurs, J. Chou, M. Yuan, 1979, Journal of medicinal chemistry.

Structure-activity studies of barbiturates using pattern recognition techniques.

A. J. Stuper, P. Jurs, P C Jurs, 1978, Journal of pharmaceutical sciences.

Prediction of acute mammalian toxicity of organophosphorus pesticide compounds from molecular structure.

P. Jurs, D. Eldred, P C Jurs, 1999, SAR and QSAR in environmental research.

Analysis of chemical signals in a primate species (Saguinus fuscicollis): Use of behavioral, chemical, and pattern recognition methods

P. Jurs, B. Lavine, A. Belcher, 1986, Journal of Chemical Ecology.

A structure-activity relationship study of organophosphorus compounds.

P. Jurs, W. Ashman, R. H. Rohrbaugh, 1988, Chemical research in toxicology.

Computerized pattern recognition: a new technique for the analysis of chemical communication.

A B Smith, P. Jurs, B. Lavine, 1985, Science.

Prediction of carbon-13 nuclear magnetic resonance chemical shifts

Peter C. Jurs, Dennis H. Smith, P. Jurs, 1978 .

Prediction of Inhibition of the Sodium Ion-Proton Antiporter by Benzoylguanidine Derivatives from Molecular Structure

Gregory W. Kauffman, Peter C. Jurs, P. Jurs, 2000, J. Chem. Inf. Comput. Sci..

Atomic charge calculations for quantitative structure—property relationships

Peter C. Jurs, Steven L. Dixon, S. L. Dixon, 1992 .

Quantitative structure-property relationships for aqueous solubilities and Henry's law constants of polychlorinated biphenyls

Frank M. Dunnivant, Mohamed Noor Hasan, Peter C. Jurs, 1992 .

Quantitative Structure-Property Relationships for the Prediction of Vapor Pressures of Organic Compounds from Molecular Structures

Peter C. Jurs, Heidi Engelhardt McClelland, P. Jurs, 2000, J. Chem. Inf. Comput. Sci..

Classification of psychotropic drugs as sedatives or tranquilizersusing pattern recongition techniques.

A. J. Stuper, P. Jurs, 1975, Journal of the American Chemical Society.

Computer-assisted prediction of normal boiling points of pyrans and pyrroles

David T. Stanton, Peter C. Jurs, Martin G. Hicks, 1992, J. Chem. Inf. Comput. Sci..

Computer-Assisted Computation of Partition Coefficients from Molecular Structures Using Fragment Constants

Peter C. Jurs, J. T. Chou, P. Jurs, 1979, J. Chem. Inf. Comput. Sci..

Beyond Boyer: The UniSCOPE Model of Scholarship for the 21st Century

M. Susie Whittington, Peter Jurs, P. Jurs, 2010 .

Near optimum computer searching of information files using hash coding

Peter C. Jurs, P. Jurs, 1971 .

Classification of Inhibitors of Protein Tyrosine Phosphatase 1B Using Molecular Structure Based Descriptors.

P. Jurs, S. Patankar, 2003 .

Carbon‐13 Spectral Simulation

Peter C. Jurs, P. Jurs, 2007 .

Prediction of boiling points of organic heterocyclic compounds using regression and neural network techniques

Peter C. Jurs, Leanne M. Egolf, P. Jurs, 1993, J. Chem. Inf. Comput. Sci..

Prediction of Autoignition Temperatures of Organic Compounds from Molecular Structure

Peter C. Jurs, Brooke E. Mitchell, P. Jurs, 1997, J. Chem. Inf. Comput. Sci..

Estimation of autoignition temperatures of hydrocarbons, alcohols, and esters from molecular structure

Peter C. Jurs, Leanne M. Egolf, P. Jurs, 1992 .

Computer Software Applications in Chemistry

Peter C. Jurs, P. Jurs, 1986 .

Simulation of the 13C nuclear magnetic resonance spectra of trisaccharides using multiple linear regression analysis and neural networks.

P. Jurs, D. L. Clouser, 1995, Carbohydrate research.

Carbon-13 nuclear magnetic resonance spectrum simulation

Peter C. Jurs, Jon W. Ball, Lawrence S. Anker, 1992, J. Chem. Inf. Comput. Sci..

Chapter 5 Selection of molecular descriptors for quantitative structure-activity relationships

Peter C. Jurs, Jon M. Sutter, P. Jurs, 1995 .

Prediction of Vapor Pressures of Hydrocarbons and Halohydrocarbons from Molecular Structure with a Computational Neural Network Model

Peter C. Jurs, Eric S. Goll, P. Jurs, 1999, J. Chem. Inf. Comput. Sci..

Prediction of the Normal Boiling Points of Organic Compounds from Molecular Structures with a Computational Neural Network Model

Peter C. Jurs, Eric S. Goll, P. Jurs, 1999, J. Chem. Inf. Comput. Sci..

Applications of Pattern Recognition to Chemistry

Thomas L. Isenhour, Bruce R. Kowalski, Peter C. Jurs, 1974 .

A numerical index for characterizing data set separation

Peter C. Jurs, Diana Hunter LaFemina, P. Jurs, 1985, J. Chem. Inf. Comput. Sci..

Computer assisted structure-activity studies of chemical carcinogens. An N-nitroso compound data set.

P. Jurs, J. Chou, J T Chou, 1979, Journal of medicinal chemistry.

Determining the Validity of a QSAR Model - A Classification Approach

Rajarshi Guha, Peter C. Jurs, P. Jurs, 2005, J. Chem. Inf. Model..

Prediction of Critical Temperatures and Pressures of Industrially Important Organic Compounds from Molecular Structure

Peter C. Jurs, Brian E. Turner, Chandra L. Costello, 1998, J. Chem. Inf. Comput. Sci..

Development of QSAR Models To Predict and Interpret the Biological Activity of Artemisinin Analogues

Rajarshi Guha, Peter C. Jurs, P. Jurs, 2004, J. Chem. Inf. Model..

A simple method for the representation, quantification, and comparison of the volumes and shapes of chemical compounds

Terry R. Stouch, Peter C. Jurs, P. Jurs, 1986, J. Chem. Inf. Comput. Sci..

Simulation of mass spectral intensities by regression analysis of calculated structural characteristics

Peter C. Jurs, P. Jurs, Hayden A. Clark, 1981 .

Predicting the Genotoxicity of Secondary and Aromatic Amines Using Data Subsetting To Generate a Model Ensemble

Stephen K. Durham, Greg M. Pearl, Gregory W. Kauffman, 2003, J. Chem. Inf. Comput. Sci..

Computer-assisted studies of molecular structure and carcinogenic activity.

Terry R. Stouch, Douglas R. Henry, Peter C. Jurs, 1983, Fundamental and applied toxicology : official journal of the Society of Toxicology.

Computer-assisted studies of molecular structure and genotoxic activity by pattern recognition techniques.

P. Jurs, T. Stouch, 1985, Environmental health perspectives.

ADAPT: A Computer System for Automated Data Analysis Using Pattern Recognition Techniques

Peter C. Jurs, A. J. Stuper, P. Jurs, 1976, J. Chem. Inf. Comput. Sci..

CLASSIFICATION OF PSYCHOTROPIC DRUGS AS SEDATIVES OR TRANQUILIZERS USING PATTERN RECOGNITION TECHNIQUES

Peter C. Jurs, A. J. Stuper, P. Jurs, 1975 .

Introduction to computer programming for chemists : FORTRAN

Thomas L. Isenhour, Peter C. Jurs, P. Jurs, 1979 .

Computer-assisted study of the relationship between molecular structure and Henry's law constant

Peter C. Jurs, Steven L. Dixon, S. L. Dixon, 1992 .

Computer-assisted study of the relationship between molecular structure and surface tension of organic compounds

David T. Stanton, Peter C. Jurs, P. Jurs, 1992, J. Chem. Inf. Comput. Sci..

Pattern Recognition Studies of Complex Chromatographic Data Sets.

Douglas R. Henry, Peter C. Jurs, P. Jurs, 1986, Journal of research of the National Bureau of Standards.

Pattern recognition techniques applied to the interpretation of infrared spectra

P. C. Jurs, P. Jurs, D. R. Preuss, 1974 .

Improved Discriminant Training and Feature Extraction for the Generation of Simulated Mass Spectra of Small Organic Molecules

Peter C. Jurs, Joseph Schechter, P. Jurs, 1973 .

Computerized learning machines applied to chemical problems. Molecular structure parameters from low resolution mass spectrometry

Thomas L. Isenhour, Bruce R. Kowalski, Charles N. Reilley, 1970 .

Machine intelligence applied to chemical systems. Prediction and reliability improvement in classification of low-resolution mass spectrometry data

Peter C. Jurs, P. Jurs, 1971 .

Pattern recognition studies of complex chromatographic data sets: Design and analysis of pattern recognition experiments

P. Jurs, D. Henry, B. K. Lavine, 1988 .

Chance classifications by non‐parametric linear discriminant functions

Barry K. Lavine, Douglas R. Henry, Peter C. Jurs, 1988 .

Monte Carlo studies of the classifications made by nonparametric linear discriminant functions

Terry R. Stouch, Peter C. Jurs, P. Jurs, 1985, J. Chem. Inf. Comput. Sci..

Reliability of Nonparametric Linear Classifers

Peter C. Jurs, A. J. Stuper, P. Jurs, 1976, J. Chem. Inf. Comput. Sci..

Interpretation of Infrared Spectra Using Pattern Recognition Techniques

P. Jurs, R. Liddell, 1973 .

Computer‐Assisted Prediction of Normal Boiling Points of Furans, Tetrahydrofurans, and Thiophenes.

David T. Stanton, Peter C. Jurs, Martin G. Hicks, 1991 .

Computer-assisted prediction of normal boiling points of furans, tetrahydrofurans, and thiophenes

David T. Stanton, Peter C. Jurs, Martin G. Hicks, 1991, J. Chem. Inf. Comput. Sci..

Semiquantitative Determination of Chlorine Dosages for Water Treatment Using Pattern‐Recognition Techniques

P. Jurs, K. Kuo, 1973 .

Investigation of the Fourier Transform for Analyzing Spectroscopic Data by Computerized Learning Machines

Thomas L. Isenhour, Peter C. Jurs, L. E. Wangen, 1971 .

Chemical applications of machine intelligencee

Thomas L. Isenhour, Peter C. Jurs, P. Jurs, 1971 .

Isobutane chemical ionization mass spectra of lanthanide perfluorinated .beta.-diketonates

P. Jurs, T. Risby, A. Yergey, 1974 .

Computer-assisted prediction of liquid chromatographic retention indexes of polycyclic aromatic hydrocarbons

P. Jurs, M. N. Hasan, 1983 .

Chemical ionization mass spectrometry of chromium tris(1,1,1-trifluoro-2,4-pentanedionate) and other transition metal .beta.-diketonates

P. Jurs, T. Risby, A. Yergey, 1976 .

A Computer System for Structure-Activity Studies Using Chemical Structure Information Handling and Pattern Recognition Techniques

A. J. Stuper, P. C. Jurs, William E. Brugger, 1977 .

Generation of Descriptors from Molecular Structures

Peter C. Jurs, A. J. Stuper, W. E. Brugger, 1976, J. Chem. Inf. Comput. Sci..

Prediction of boiling points and critical temperatures of industrially important organic compounds from molecular structure

Peter C. Jurs, Leanne M. Egolf, Matthew D. Wessel, 1994, J. Chem. Inf. Comput. Sci..

Prediction of Normal Boiling Points of Hydrocarbons from Molecular Structure

Peter C. Jurs, Matthew D. Wessel, P. Jurs, 1995, J. Chem. Inf. Comput. Sci..

Development and Use of Hydrophobic Surface Area (HSA) Descriptors for Computer-Assisted Quantitative Structure-Activity and Structure-Property Relationship Studies

David T. Stanton, Peter C. Jurs, Brian E. Mattioni, 2004, J. Chem. Inf. Model..