Peter C. Jurs

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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..

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..

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..

Mathematica

Peter C. Jurs, Peter C. Jurs, 2019, J. Chem. Inf. Comput. Sci..

Fourier and Hadamard Transforms in Pattern Recognition

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

Prediction of Aqueous Solubility of Organic Compounds

Peter C. Jurs, Todd M. Nelson, P. Jurs, 1994, 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..

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 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 Supercritical Carbon Dioxide Solubility of Organic Compounds from Molecular Structure

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

Pattern recognition studies of complex chromatographic data sets

Peter C. Jurs, B K Lavine, T R Stouch, 1986 .

Computer-assisted studies of molecular structure biological activity relationships

Terry R. Stouch, Peter C. Jurs, Maria Czerwinski, 1985, 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.

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..

Local Lazy Regression: Making Use of the Neighborhood to Improve QSAR Predictions

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

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..

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..

R-NN Curves: An Intuitive Approach to Outlier Detection Using a Distance Based Method

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

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..

Computer Assisted Simulation of 13C Nuclear Magnetic Spectra of Monosaccharides

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

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

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

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

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

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..

Carbon‐13 Spectral Simulation

Peter C. Jurs, P. Jurs, 2007 .

Prediction of C60 Solubilities from Solvent Molecular Structures

Peter C. Jurs, Stephen M. Danauskas, 2001, J. Chem. Inf. Comput. Sci..

BASIC Programming for Chemists: An Introduction

Thomas L. Isenhour, Charles L. Wilkins, Peter C. Jurs, 1987 .

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..

A numerical index for characterizing data set separation

Peter C. Jurs, Diana Hunter LaFemina, P. Jurs, 1985, 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..

Introduction to computer programming for chemists

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

Prediction of Hydroxyl Radical Rate Constants from Molecular Structure

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

Interpreting Computational Neural Network Quantitative Structure-Activity Relationship Models: A Detailed Interpretation of the Weights and Biases

Rajarshi Guha, David T. Stanton, Peter C. Jurs, 2005, J. Chem. Inf. Model..

Prediction of Methyl Radical Addition Rate Constants from Molecular Structure

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

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..

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..

Scalable Partitioning and Exploration of Chemical Spaces Using Geometric Hashing

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

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..

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..

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..

Prediction of Aqueous Solubility of Organic Compounds from Molecular Structure

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

Introduction to computer programming for chemists : FORTRAN

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

Computer-Assisted Studies of Chemical Structure and Olfactory Quality Using Pattern Recognition Techniques

Peter C. Jurs, William E. Brugger, Cheryl L. Ham, 1981 .

Machine Intelligence Applied to Chemical Systems: A Graph Theoretical and Learning Machine Study of Second-Order Effects in Low Resolution Mass Spectra

Peter C. Jurs, 1971 .

Classification of Diverse Organic Compounds That Induce Chromosomal Aberrations in Chinese Hamster Cells

Peter C. Jurs, Nathan R. McElroy, E. D. Thompson, 2003, J. Chem. Inf. Comput. Sci..

Determining the Validity of a QSAR Model - A Classification Approach

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

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..

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..

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..

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..

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..

Computer Assisted Studies of Structure-Activity Relations Using Pattern Recognition

Peter C. Jurs, P. Jurs, 1983 .

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..

QSARs for 6-Azasteroids as Inhibitors of Human Type 1 5-Reductase: Prediction of Binding Affinity and Selectivity Relative to 3-BHSD

Peter C. Jurs, Gregory A. Bakken, 2001, J. Chem. Inf. Comput. Sci..

Reliability of Nonparametric Linear Classifers

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

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..

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..

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..

Monte Carlo studies of the classifications made by nonparametric linear discriminant functions. 2. Effects of nonideal data

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

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..

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..

Generation of Descriptors from Molecular Structures

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

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 .

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 Normal Boiling Points of Hydrocarbons from Molecular Structure

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

Prediction of Glycine/NMDA Receptor Antagonist Inhibition from Molecular Structure

Peter C. Jurs, Su J. Patankar, 2002, J. Chem. Inf. Comput. Sci..

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..

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..

Cluster analysis of acrylates to guide sampling for toxicity testing

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

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

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

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..

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..

Prediction of IC50 Values for ACAT Inhibitors from Molecular Structure

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

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 the 13C Nuclear Magnetic Resonance Spectra of Ribonucleosides Using Multiple Linear Regression Analysis and Neural Networks

Peter C. Jurs, Deborah L. Clouser, 1996, J. Chem. Inf. Comput. Sci..

Prediction of Normal Boiling Points for a Diverse Set of Industrially Important Organic Compounds from Molecular Structure

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

Chemical applications of pattern recognition

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

Carbon-13 nuclear magnetic resonance spectrum simulation

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

Simulation of carbon-13 nuclear magnetic resonance spectra of substituted cyclopentanes and cyclopentanols

Peter C. Jurs, Debra S. Egolf, 1987 .

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 .

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

Peter C. Jurs, P. Jurs, 1971 .

Prediction of gas chromatographic retention indexes of selected olefins

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

Investigation of the Fourier transform representation of mass spectra for analysis of computerized learning machine

Peter C. Jurs, 1971 .

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

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

Prediction of carbon-13 nuclear magnetic resonance chemical shifts

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

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 .

Chemical applications of machine intelligencee

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

Applications of Pattern Recognition to Chemistry

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

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

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

Automated model selection for the simulation of carbon-13 nuclear magnetic resonance spectra of cyclopentanones and cycloheptanones

Peter C. Jurs, Jon W. Ball, Lawrence S. Anker, 1991 .

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

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

Peter C. Jurs, 1988 .

Near optimum computer searching of information files using hash coding

Peter C. Jurs, P. Jurs, 1971 .

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

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

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 .

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

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

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

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

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 .

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

Peter C. Jurs, Brian E. Mattioni, 2002 .

Correlation of odor intensities with structural properties of odorants

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

Prediction of olefin boiling points from molecular structure

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

Computerized learning machines applied to chemical problems. Multicategory pattern classification by least squares

Thomas L. Isenhour, Bruce R. Kowalski, Charles N. Reilley, 1969 .

Quantitative Structure‐Property Relationships

Peter C. Jurs, P. Jurs, 2008 .

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

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

The simulation of 13C nuclear magnetic resonance spectra of dibenzofurans using multiple linear regression analysis and neural networks

Peter C. Jurs, Deborah L. Clouser, 1996 .

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

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

Mass spectral feature selection and structural correlations using computerized learning machines

Peter C. Jurs, P. Jurs, 1970 .

COMPUTER-ASSISTED STUDIES OF STRUCTURE-ACTIVITY RELATIONSHIPS OF N-NITROSO COMPOUNDS USING PATTERN RECOGNITION

Peter C. Jurs, Susan L. Rose, 1982 .

Quantitative structure-retention relationship studies of sulfur vesicants

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

Prediction of Aqueous Solubility of Heteroatom‐Containing Organic Compounds from Molecular Structure.

Peter C. Jurs, Nathan R. McElroy, 2001 .

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 .

Computer‐Assisted Prediction of Normal Boiling Points of Pyrans and Pyrroles.

David T. Stanton, Peter C. Jurs, Martin G. Hicks, 1992 .

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

Peter C. Jurs, Eric S. Goll, 2000 .

Interactive computer system for the simulation of carbon-13 nuclear magnetic resonance spectra

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

Computer Software Applications in Chemistry

Peter C. Jurs, P. Jurs, 1986 .

Interpretation of infrared spectra using pattern recognition techniques

Peter C. Jurs, Robert W. Liddell, 1974 .

Comparison of QSAR and Molecular Similarity Approaches for a Structure-Activity Relationship Study of DHFR Inhibitors. DHFR Inhibitors: QSAR and Molecular Similarity Approaches

David T. Stanton, Peter C. Jurs, Wallace J. Murray, 1993 .

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

Peter C. Jurs, Eric S. Goll, 2000 .

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 .

Prediction of boiling points of alcohols from molecular structure

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

Chance classifications by non‐parametric linear discriminant functions

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

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

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

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

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

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

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

Prediction of Aqueous Solubility of Organic Compounds

Peter C. Jurs, Todd M. Nelson, 1994 .

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.

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.

Some Chemical Applications of Machine Intelligence

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

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 .

Atomic charge calculations for quantitative structure—property relationships

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

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

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

Quantitative Structure–Property Relationships (QSPR)

Peter C. Jurs, P. Jurs, 2002 .

Computerized learning machines applied to chemical problems. Convergence rate and predictive ability of adaptive binary pattern classifiers

Thomas L. Isenhour, Bruce R. Kowalski, Charles N. Reilley, 1969 .

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 .

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

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

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

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

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

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