Peter C. Jurs

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2006

64 EE Debojyoti Dutta, Rajarshi Guha, Peter C. Jurs, Ting Chen: Scalable Partitioning and Exploration of Chemical Spaces Using Geometric Hashing. Journal of Chemical Information and Modeling 46(1): 321-333 (2006)

63 EE Rajarshi Guha, Debojyoti Dutta, Peter C. Jurs, Ting Chen: R-NN Curves: An Intuitive Approach to Outlier Detection Using a Distance Based Method. Journal of Chemical Information and Modeling 46(4): 1713-1722 (2006)

62 EE Rajarshi Guha, Debojyoti Dutta, Peter C. Jurs, Ting Chen: Local Lazy Regression: Making Use of the Neighborhood to Improve QSAR Predictions. Journal of Chemical Information and Modeling 46(4): 1836-1847 (2006)

2005

61 EE Rajarshi Guha, Peter C. Jurs: Determining the Validity of a QSAR Model - A Classification Approach. Journal of Chemical Information and Modeling 45(1): 65-73 (2005)

60 EE Rajarshi Guha, Peter C. Jurs: Interpreting Computational Neural Network QSAR Models: A Measure of Descriptor Importance. Journal of Chemical Information and Modeling 45(3): 800-806 (2005)

59 EE 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. Journal of Chemical Information and Modeling 45(4): 1109-1121 (2005)

2004

58 EE 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. Journal of Chemical Information and Modeling 44(3): 1010-1023 (2004)

57 EE Rajarshi Guha, Peter C. Jurs: Development of QSAR Models To Predict and Interpret the Biological Activity of Artemisinin Analogues. Journal of Chemical Information and Modeling 44(4): 1440-1449 (2004)

56 EE 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. Journal of Chemical Information and Modeling 44(6): 2179-2189 (2004)

2003

55 EE Su J. Patankar, Peter C. Jurs: Classification of Inhibitors of Protein Tyrosine Phosphatase 1B Using Molecular Structure Based Descriptors. Journal of Chemical Information and Computer Sciences 43(3): 885-899 (2003)

54 EE 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. Journal of Chemical Information and Computer Sciences 43(3): 949-963 (2003)

53 EE Nathan R. McElroy, E. D. Thompson, Peter C. Jurs: Classification of Diverse Organic Compounds That Induce Chromosomal Aberrations in Chinese Hamster Cells. Journal of Chemical Information and Computer Sciences 43(6): 2111-2119 (2003)

52 Su J. Patankar, Peter C. Jurs: Classification of HIV protease inhibitors on the basis of their antiviral potency using radial basis function neural networks. Journal of Computer-Aided Molecular Design 17(2-4): 155-171 (2003)

2002

51 EE Brian E. Mattioni, Peter C. Jurs: Development of Quantitative Structure-Activity Relationship and Classification Models for a Set of Carbonic Anhydrase Inhibitors. Journal of Chemical Information and Computer Sciences 42(1): 94-102 (2002)

50 EE Brian E. Mattioni, Peter C. Jurs: Prediction of Glass Transition Temperatures from Monomer and Repeat Unit Structure Using Computational Neural Networks. Journal of Chemical Information and Computer Sciences 42(2): 232-240 (2002)

49 EE Su J. Patankar, Peter C. Jurs: Prediction of Glycine/NMDA Receptor Antagonist Inhibition from Molecular Structure. Journal of Chemical Information and Computer Sciences 42(5): 1053-1068 (2002)

48 EE Philip D. Mosier, Peter C. Jurs: QSAR/QSPR Studies Using Probabilistic Neural Networks and Generalized Regression Neural Networks. Journal of Chemical Information and Computer Sciences 42(6): 1460-1470 (2002)

2001

47 EE Gregory W. Kauffman, Peter C. Jurs: Prediction of Surface Tension, Viscosity, and Thermal Conductivity for Common Organic Solvents Using Quantitative Structure-Property Relationships. Journal of Chemical Information and Computer Sciences 41(2): 408-418 (2001)

46 EE Stephen M. Danauskas, Peter C. Jurs: Prediction of C60 Solubilities from Solvent Molecular Structures. Journal of Chemical Information and Computer Sciences 41(2): 419-424 (2001)

45 EE Nathan R. McElroy, Peter C. Jurs: Prediction of Aqueous Solubility of Heteroatom-Containing Organic Compounds from Molecular Structure. Journal of Chemical Information and Computer Sciences 41(5): 1237-1247 (2001)

44 EE 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. Journal of Chemical Information and Computer Sciences 41(5): 1255-1265 (2001)

43 EE Gregory W. Kauffman, Peter C. Jurs: QSAR and k-Nearest Neighbor Classification Analysis of Selective Cyclooxygenase-2 Inhibitors Using Topologically-Based Numerical Descriptors. Journal of Chemical Information and Computer Sciences 41(6): 1553-1560 (2001)

2000

42 EE Su J. Patankar, Peter C. Jurs: Prediction of IC50 Values for ACAT Inhibitors from Molecular Structure. Journal of Chemical Information and Computer Sciences 40(3): 706-723 (2000)

41 EE Gregory W. Kauffman, Peter C. Jurs: Prediction of Inhibition of the Sodium Ion-Proton Antiporter by Benzoylguanidine Derivatives from Molecular Structure. Journal of Chemical Information and Computer Sciences 40(3): 753-761 (2000)

40 EE Heidi Engelhardt McClelland, Peter C. Jurs: Quantitative Structure-Property Relationships for the Prediction of Vapor Pressures of Organic Compounds from Molecular Structures. Journal of Chemical Information and Computer Sciences 40(4): 967-975 (2000)

1999

39 EE Gregory A. Bakken, Peter C. Jurs: Prediction of Methyl Radical Addition Rate Constants from Molecular Structure. Journal of Chemical Information and Computer Sciences 39(3): 508-514 (1999)

38 EE Gregory A. Bakken, Peter C. Jurs: Prediction of Hydroxyl Radical Rate Constants from Molecular Structure. Journal of Chemical Information and Computer Sciences 39(6): 1064-1075 (1999)

37 EE Eric S. Goll, Peter C. Jurs: Prediction of Vapor Pressures of Hydrocarbons and Halohydrocarbons from Molecular Structure with a Computational Neural Network Model. Journal of Chemical Information and Computer Sciences 39(6): 1081-1089 (1999)

36 EE Eric S. Goll, Peter C. Jurs: Prediction of the Normal Boiling Points of Organic Compounds from Molecular Structures with a Computational Neural Network Model. Journal of Chemical Information and Computer Sciences 39(6): 974-983 (1999)

1998

35 EE Brooke E. Mitchell, Peter C. Jurs: Prediction of Infinite Dilution Activity Coefficients of Organic Compounds in Aqueous Solution from Molecular Structure. Journal of Chemical Information and Computer Sciences 38(2): 200-209 (1998)

34 EE Brooke E. Mitchell, Peter C. Jurs: Prediction of Aqueous Solubility of Organic Compounds from Molecular Structure. Journal of Chemical Information and Computer Sciences 38(3): 489-496 (1998)

33 EE Brian E. Turner, Chandra L. Costello, Peter C. Jurs: Prediction of Critical Temperatures and Pressures of Industrially Important Organic Compounds from Molecular Structure. Journal of Chemical Information and Computer Sciences 38(4): 639-645 (1998)

32 EE Matthew D. Wessel, Peter C. Jurs, John W. Tolan, Steven M. Muskal: Prediction of Human Intestinal Absorption of Drug Compounds from Molecular Structure. Journal of Chemical Information and Computer Sciences 38(4): 726-735 (1998)

1997

31 EE Heidi L. Engelhardt, Peter C. Jurs: Prediction of Supercritical Carbon Dioxide Solubility of Organic Compounds from Molecular Structure. Journal of Chemical Information and Computer Sciences 37(3): 478-484 (1997)

30 EE Brooke E. Mitchell, Peter C. Jurs: Prediction of Autoignition Temperatures of Organic Compounds from Molecular Structure. Journal of Chemical Information and Computer Sciences 37(3): 538-547 (1997)

1996

29 EE 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. Journal of Chemical Information and Computer Sciences 36(1): 100-107 (1996)

28 EE Brooke E. Mitchell, Peter C. Jurs: Computer Assisted Simulation of 13C Nuclear Magnetic Spectra of Monosaccharides. Journal of Chemical Information and Computer Sciences 36(1): 58-64 (1996)

27 EE Deborah L. Clouser, Peter C. Jurs: Simulation of the 13C Nuclear Magnetic Resonance Spectra of Ribonucleosides Using Multiple Linear Regression Analysis and Neural Networks. Journal of Chemical Information and Computer Sciences 36(2): 168-172 (1996)

1995

26 Matthew D. Wessel, Peter C. Jurs: Prediction of Normal Boiling Points of Hydrocarbons from Molecular Structure. Journal of Chemical Information and Computer Sciences 35(1): 68-76 (1995)

25 Jon M. Sutter, Steven L. Dixon, Peter C. Jurs: Automated Descriptor Selection for Quantitative Structure-Activity Relationships Using Generalized Simulated Annealing. Journal of Chemical Information and Computer Sciences 35(1): 77-84 (1995)

24 Matthew D. Wessel, Peter C. Jurs: Prediction of Normal Boiling Points for a Diverse Set of Industrially Important Organic Compounds from Molecular Structure. Journal of Chemical Information and Computer Sciences 35(5): 841-850 (1995)

1994

23 EE Todd M. Nelson, Peter C. Jurs: Prediction of Aqueous Solubility of Organic Compounds. Journal of Chemical Information and Computer Sciences 34(3): 601-609 (1994)

22 EE Leanne M. Egolf, Matthew D. Wessel, Peter C. Jurs: Prediction of boiling points and critical temperatures of industrially important organic compounds from molecular structure. Journal of Chemical Information and Computer Sciences 34(4): 947-956 (1994)

21 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. Journal of Computational Chemistry 15(7): 733-746 (1994)

1993

20 EE Leanne M. Egolf, Peter C. Jurs: Prediction of boiling points of organic heterocyclic compounds using regression and neural network techniques. Journal of Chemical Information and Computer Sciences 33(4): 616-625 (1993)

1992

19 EE David T. Stanton, Peter C. Jurs: Computer-assisted study of the relationship between molecular structure and surface tension of organic compounds. Journal of Chemical Information and Computer Sciences 32(1): 109-115 (1992)

18 EE Peter C. Jurs, Jon W. Ball, Lawrence S. Anker, Todd L. Friedman: Carbon-13 nuclear magnetic resonance spectrum simulation. Journal of Chemical Information and Computer Sciences 32(4): 272-278 (1992)

17 EE David T. Stanton, Leanne M. Egolf, Peter C. Jurs, Martin G. Hicks: Computer-assisted prediction of normal boiling points of pyrans and pyrroles. Journal of Chemical Information and Computer Sciences 32(4): 306-316 (1992)

16 EE Peter C. Jurs: Mathematica. Journal of Chemical Information and Computer Sciences 32(4): 388-391 (1992)

1991

15 EE David T. Stanton, Peter C. Jurs, Martin G. Hicks: Computer-assisted prediction of normal boiling points of furans, tetrahydrofurans, and thiophenes. Journal of Chemical Information and Computer Sciences 31(2): 301-310 (1991)

14 EE Richard G. Lawson, Peter C. Jurs: Cluster analysis of acrylates to guide sampling for toxicity testing. Journal of Chemical Information and Computer Sciences 31(2): 361 (1991)

1990

13 EE Richard G. Lawson, Peter C. Jurs: New index for clustering tendency and its application to chemical problems. Journal of Chemical Information and Computer Sciences 30(1): 36-41 (1990)

12 EE Richard G. Lawson, Peter C. Jurs: Cluster analysis of acrylates to guide sampling for toxicity testing. Journal of Chemical Information and Computer Sciences 30(2): 137-144 (1990)

1988

11 EE Milan Randic, Peter J. Hansen, Peter C. Jurs: Search for useful graph theoretical invariants of molecular structure. Journal of Chemical Information and Computer Sciences 28(2): 60-68 (1988)

1986

10 EE Terry R. Stouch, Peter C. Jurs: A simple method for the representation, quantification, and comparison of the volumes and shapes of chemical compounds. Journal of Chemical Information and Computer Sciences 26(1): 4-12 (1986)

1985

9 EE Terry R. Stouch, Peter C. Jurs: Monte Carlo studies of the classifications made by nonparametric linear discriminant functions. Journal of Chemical Information and Computer Sciences 25(1): 45-50 (1985)

8 EE Terry R. Stouch, Peter C. Jurs: Monte Carlo studies of the classifications made by nonparametric linear discriminant functions. 2. Effects of nonideal data. Journal of Chemical Information and Computer Sciences 25(2): 92-98 (1985)

7 EE Peter C. Jurs, Terry R. Stouch, Maria Czerwinski, Javier N. Narvaez: Computer-assisted studies of molecular structure biological activity relationships. Journal of Chemical Information and Computer Sciences 25(3): 296-308 (1985)

6 EE Diana Hunter LaFemina, Peter C. Jurs: A numerical index for characterizing data set separation. Journal of Chemical Information and Computer Sciences 25(4): 386-388 (1985)

1979

5 EE J. T. Chou, Peter C. Jurs: Computer-Assisted Computation of Partition Coefficients from Molecular Structures Using Fragment Constants. Journal of Chemical Information and Computer Sciences 19(3): 172-178 (1979)

1976

4 EE W. E. Brugger, A. J. Stuper, Peter C. Jurs: Generation of Descriptors from Molecular Structures. Journal of Chemical Information and Computer Sciences 16(2): 105-110 (1976)

3 EE A. J. Stuper, Peter C. Jurs: ADAPT: A Computer System for Automated Data Analysis Using Pattern Recognition Techniques. Journal of Chemical Information and Computer Sciences 16(2): 99-105 (1976)

2 EE A. J. Stuper, Peter C. Jurs: Reliability of Nonparametric Linear Classifers. Journal of Chemical Information and Computer Sciences 16(4): 238-241 (1976)

1972

1 EE Lucio Pietrantonio, Peter C. Jurs: Iterative least squares development of discriminant functions for spectroscopic data analysis by pattern recognition. Pattern Recognition 4(4): 391-400 (1972)

2006
64	EE	Debojyoti Dutta, Rajarshi Guha, Peter C. Jurs, Ting Chen: Scalable Partitioning and Exploration of Chemical Spaces Using Geometric Hashing. Journal of Chemical Information and Modeling 46(1): 321-333 (2006)
63	EE	Rajarshi Guha, Debojyoti Dutta, Peter C. Jurs, Ting Chen: R-NN Curves: An Intuitive Approach to Outlier Detection Using a Distance Based Method. Journal of Chemical Information and Modeling 46(4): 1713-1722 (2006)
62	EE	Rajarshi Guha, Debojyoti Dutta, Peter C. Jurs, Ting Chen: Local Lazy Regression: Making Use of the Neighborhood to Improve QSAR Predictions. Journal of Chemical Information and Modeling 46(4): 1836-1847 (2006)
2005
61	EE	Rajarshi Guha, Peter C. Jurs: Determining the Validity of a QSAR Model - A Classification Approach. Journal of Chemical Information and Modeling 45(1): 65-73 (2005)
60	EE	Rajarshi Guha, Peter C. Jurs: Interpreting Computational Neural Network QSAR Models: A Measure of Descriptor Importance. Journal of Chemical Information and Modeling 45(3): 800-806 (2005)
59	EE	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. Journal of Chemical Information and Modeling 45(4): 1109-1121 (2005)
2004
58	EE	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. Journal of Chemical Information and Modeling 44(3): 1010-1023 (2004)
57	EE	Rajarshi Guha, Peter C. Jurs: Development of QSAR Models To Predict and Interpret the Biological Activity of Artemisinin Analogues. Journal of Chemical Information and Modeling 44(4): 1440-1449 (2004)
56	EE	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. Journal of Chemical Information and Modeling 44(6): 2179-2189 (2004)
2003
55	EE	Su J. Patankar, Peter C. Jurs: Classification of Inhibitors of Protein Tyrosine Phosphatase 1B Using Molecular Structure Based Descriptors. Journal of Chemical Information and Computer Sciences 43(3): 885-899 (2003)
54	EE	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. Journal of Chemical Information and Computer Sciences 43(3): 949-963 (2003)
53	EE	Nathan R. McElroy, E. D. Thompson, Peter C. Jurs: Classification of Diverse Organic Compounds That Induce Chromosomal Aberrations in Chinese Hamster Cells. Journal of Chemical Information and Computer Sciences 43(6): 2111-2119 (2003)
52		Su J. Patankar, Peter C. Jurs: Classification of HIV protease inhibitors on the basis of their antiviral potency using radial basis function neural networks. Journal of Computer-Aided Molecular Design 17(2-4): 155-171 (2003)
2002
51	EE	Brian E. Mattioni, Peter C. Jurs: Development of Quantitative Structure-Activity Relationship and Classification Models for a Set of Carbonic Anhydrase Inhibitors. Journal of Chemical Information and Computer Sciences 42(1): 94-102 (2002)
50	EE	Brian E. Mattioni, Peter C. Jurs: Prediction of Glass Transition Temperatures from Monomer and Repeat Unit Structure Using Computational Neural Networks. Journal of Chemical Information and Computer Sciences 42(2): 232-240 (2002)
49	EE	Su J. Patankar, Peter C. Jurs: Prediction of Glycine/NMDA Receptor Antagonist Inhibition from Molecular Structure. Journal of Chemical Information and Computer Sciences 42(5): 1053-1068 (2002)
48	EE	Philip D. Mosier, Peter C. Jurs: QSAR/QSPR Studies Using Probabilistic Neural Networks and Generalized Regression Neural Networks. Journal of Chemical Information and Computer Sciences 42(6): 1460-1470 (2002)
2001
47	EE	Gregory W. Kauffman, Peter C. Jurs: Prediction of Surface Tension, Viscosity, and Thermal Conductivity for Common Organic Solvents Using Quantitative Structure-Property Relationships. Journal of Chemical Information and Computer Sciences 41(2): 408-418 (2001)
46	EE	Stephen M. Danauskas, Peter C. Jurs: Prediction of C60 Solubilities from Solvent Molecular Structures. Journal of Chemical Information and Computer Sciences 41(2): 419-424 (2001)
45	EE	Nathan R. McElroy, Peter C. Jurs: Prediction of Aqueous Solubility of Heteroatom-Containing Organic Compounds from Molecular Structure. Journal of Chemical Information and Computer Sciences 41(5): 1237-1247 (2001)
44	EE	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. Journal of Chemical Information and Computer Sciences 41(5): 1255-1265 (2001)
43	EE	Gregory W. Kauffman, Peter C. Jurs: QSAR and k-Nearest Neighbor Classification Analysis of Selective Cyclooxygenase-2 Inhibitors Using Topologically-Based Numerical Descriptors. Journal of Chemical Information and Computer Sciences 41(6): 1553-1560 (2001)
2000
42	EE	Su J. Patankar, Peter C. Jurs: Prediction of IC50 Values for ACAT Inhibitors from Molecular Structure. Journal of Chemical Information and Computer Sciences 40(3): 706-723 (2000)
41	EE	Gregory W. Kauffman, Peter C. Jurs: Prediction of Inhibition of the Sodium Ion-Proton Antiporter by Benzoylguanidine Derivatives from Molecular Structure. Journal of Chemical Information and Computer Sciences 40(3): 753-761 (2000)
40	EE	Heidi Engelhardt McClelland, Peter C. Jurs: Quantitative Structure-Property Relationships for the Prediction of Vapor Pressures of Organic Compounds from Molecular Structures. Journal of Chemical Information and Computer Sciences 40(4): 967-975 (2000)
1999
39	EE	Gregory A. Bakken, Peter C. Jurs: Prediction of Methyl Radical Addition Rate Constants from Molecular Structure. Journal of Chemical Information and Computer Sciences 39(3): 508-514 (1999)
38	EE	Gregory A. Bakken, Peter C. Jurs: Prediction of Hydroxyl Radical Rate Constants from Molecular Structure. Journal of Chemical Information and Computer Sciences 39(6): 1064-1075 (1999)
37	EE	Eric S. Goll, Peter C. Jurs: Prediction of Vapor Pressures of Hydrocarbons and Halohydrocarbons from Molecular Structure with a Computational Neural Network Model. Journal of Chemical Information and Computer Sciences 39(6): 1081-1089 (1999)
36	EE	Eric S. Goll, Peter C. Jurs: Prediction of the Normal Boiling Points of Organic Compounds from Molecular Structures with a Computational Neural Network Model. Journal of Chemical Information and Computer Sciences 39(6): 974-983 (1999)
1998
35	EE	Brooke E. Mitchell, Peter C. Jurs: Prediction of Infinite Dilution Activity Coefficients of Organic Compounds in Aqueous Solution from Molecular Structure. Journal of Chemical Information and Computer Sciences 38(2): 200-209 (1998)
34	EE	Brooke E. Mitchell, Peter C. Jurs: Prediction of Aqueous Solubility of Organic Compounds from Molecular Structure. Journal of Chemical Information and Computer Sciences 38(3): 489-496 (1998)
33	EE	Brian E. Turner, Chandra L. Costello, Peter C. Jurs: Prediction of Critical Temperatures and Pressures of Industrially Important Organic Compounds from Molecular Structure. Journal of Chemical Information and Computer Sciences 38(4): 639-645 (1998)
32	EE	Matthew D. Wessel, Peter C. Jurs, John W. Tolan, Steven M. Muskal: Prediction of Human Intestinal Absorption of Drug Compounds from Molecular Structure. Journal of Chemical Information and Computer Sciences 38(4): 726-735 (1998)
1997
31	EE	Heidi L. Engelhardt, Peter C. Jurs: Prediction of Supercritical Carbon Dioxide Solubility of Organic Compounds from Molecular Structure. Journal of Chemical Information and Computer Sciences 37(3): 478-484 (1997)
30	EE	Brooke E. Mitchell, Peter C. Jurs: Prediction of Autoignition Temperatures of Organic Compounds from Molecular Structure. Journal of Chemical Information and Computer Sciences 37(3): 538-547 (1997)
1996
29	EE	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. Journal of Chemical Information and Computer Sciences 36(1): 100-107 (1996)
28	EE	Brooke E. Mitchell, Peter C. Jurs: Computer Assisted Simulation of 13C Nuclear Magnetic Spectra of Monosaccharides. Journal of Chemical Information and Computer Sciences 36(1): 58-64 (1996)
27	EE	Deborah L. Clouser, Peter C. Jurs: Simulation of the 13C Nuclear Magnetic Resonance Spectra of Ribonucleosides Using Multiple Linear Regression Analysis and Neural Networks. Journal of Chemical Information and Computer Sciences 36(2): 168-172 (1996)
1995
26		Matthew D. Wessel, Peter C. Jurs: Prediction of Normal Boiling Points of Hydrocarbons from Molecular Structure. Journal of Chemical Information and Computer Sciences 35(1): 68-76 (1995)
25		Jon M. Sutter, Steven L. Dixon, Peter C. Jurs: Automated Descriptor Selection for Quantitative Structure-Activity Relationships Using Generalized Simulated Annealing. Journal of Chemical Information and Computer Sciences 35(1): 77-84 (1995)
24		Matthew D. Wessel, Peter C. Jurs: Prediction of Normal Boiling Points for a Diverse Set of Industrially Important Organic Compounds from Molecular Structure. Journal of Chemical Information and Computer Sciences 35(5): 841-850 (1995)
1994
23	EE	Todd M. Nelson, Peter C. Jurs: Prediction of Aqueous Solubility of Organic Compounds. Journal of Chemical Information and Computer Sciences 34(3): 601-609 (1994)
22	EE	Leanne M. Egolf, Matthew D. Wessel, Peter C. Jurs: Prediction of boiling points and critical temperatures of industrially important organic compounds from molecular structure. Journal of Chemical Information and Computer Sciences 34(4): 947-956 (1994)
21		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. Journal of Computational Chemistry 15(7): 733-746 (1994)
1993
20	EE	Leanne M. Egolf, Peter C. Jurs: Prediction of boiling points of organic heterocyclic compounds using regression and neural network techniques. Journal of Chemical Information and Computer Sciences 33(4): 616-625 (1993)
1992
19	EE	David T. Stanton, Peter C. Jurs: Computer-assisted study of the relationship between molecular structure and surface tension of organic compounds. Journal of Chemical Information and Computer Sciences 32(1): 109-115 (1992)
18	EE	Peter C. Jurs, Jon W. Ball, Lawrence S. Anker, Todd L. Friedman: Carbon-13 nuclear magnetic resonance spectrum simulation. Journal of Chemical Information and Computer Sciences 32(4): 272-278 (1992)
17	EE	David T. Stanton, Leanne M. Egolf, Peter C. Jurs, Martin G. Hicks: Computer-assisted prediction of normal boiling points of pyrans and pyrroles. Journal of Chemical Information and Computer Sciences 32(4): 306-316 (1992)
16	EE	Peter C. Jurs: Mathematica. Journal of Chemical Information and Computer Sciences 32(4): 388-391 (1992)
1991
15	EE	David T. Stanton, Peter C. Jurs, Martin G. Hicks: Computer-assisted prediction of normal boiling points of furans, tetrahydrofurans, and thiophenes. Journal of Chemical Information and Computer Sciences 31(2): 301-310 (1991)
14	EE	Richard G. Lawson, Peter C. Jurs: Cluster analysis of acrylates to guide sampling for toxicity testing. Journal of Chemical Information and Computer Sciences 31(2): 361 (1991)
1990
13	EE	Richard G. Lawson, Peter C. Jurs: New index for clustering tendency and its application to chemical problems. Journal of Chemical Information and Computer Sciences 30(1): 36-41 (1990)
12	EE	Richard G. Lawson, Peter C. Jurs: Cluster analysis of acrylates to guide sampling for toxicity testing. Journal of Chemical Information and Computer Sciences 30(2): 137-144 (1990)
1988
11	EE	Milan Randic, Peter J. Hansen, Peter C. Jurs: Search for useful graph theoretical invariants of molecular structure. Journal of Chemical Information and Computer Sciences 28(2): 60-68 (1988)
1986
10	EE	Terry R. Stouch, Peter C. Jurs: A simple method for the representation, quantification, and comparison of the volumes and shapes of chemical compounds. Journal of Chemical Information and Computer Sciences 26(1): 4-12 (1986)
1985
9	EE	Terry R. Stouch, Peter C. Jurs: Monte Carlo studies of the classifications made by nonparametric linear discriminant functions. Journal of Chemical Information and Computer Sciences 25(1): 45-50 (1985)
8	EE	Terry R. Stouch, Peter C. Jurs: Monte Carlo studies of the classifications made by nonparametric linear discriminant functions. 2. Effects of nonideal data. Journal of Chemical Information and Computer Sciences 25(2): 92-98 (1985)
7	EE	Peter C. Jurs, Terry R. Stouch, Maria Czerwinski, Javier N. Narvaez: Computer-assisted studies of molecular structure biological activity relationships. Journal of Chemical Information and Computer Sciences 25(3): 296-308 (1985)
6	EE	Diana Hunter LaFemina, Peter C. Jurs: A numerical index for characterizing data set separation. Journal of Chemical Information and Computer Sciences 25(4): 386-388 (1985)
1979
5	EE	J. T. Chou, Peter C. Jurs: Computer-Assisted Computation of Partition Coefficients from Molecular Structures Using Fragment Constants. Journal of Chemical Information and Computer Sciences 19(3): 172-178 (1979)
1976
4	EE	W. E. Brugger, A. J. Stuper, Peter C. Jurs: Generation of Descriptors from Molecular Structures. Journal of Chemical Information and Computer Sciences 16(2): 105-110 (1976)
3	EE	A. J. Stuper, Peter C. Jurs: ADAPT: A Computer System for Automated Data Analysis Using Pattern Recognition Techniques. Journal of Chemical Information and Computer Sciences 16(2): 99-105 (1976)
2	EE	A. J. Stuper, Peter C. Jurs: Reliability of Nonparametric Linear Classifers. Journal of Chemical Information and Computer Sciences 16(4): 238-241 (1976)
1972
1	EE	Lucio Pietrantonio, Peter C. Jurs: Iterative least squares development of discriminant functions for spectroscopic data analysis by pattern recognition. Pattern Recognition 4(4): 391-400 (1972)

Coauthor Index

1 Lawrence S. Anker [18]

2 Gregory A. Bakken [38] [39] [44]

3 Jon W. Ball [18]

4 W. E. Brugger [4]

5 Ting Chen [62] [63] [64]

6 J. T. Chou [5]

7 Deborah L. Clouser [27]

8 Chandra L. Costello [33]

9 Laura L. Custer [54]

10 Maria Czerwinski [7]

11 Stephen M. Danauskas [46]

12 Steven L. Dixon [21] [25]

13 Stephen K. Durham [54]

14 Debojyoti Dutta [62] [63] [64]

15 Leanne M. Egolf [17] [20] [22]

16 Heidi L. Engelhardt [31]

17 Todd L. Friedman [18]

18 Eric S. Goll [36] [37]

19 Rajarshi Guha [56] [57] [59] [60] [61] [62] [63] [64]

20 Peter J. Hansen [11]

21 Martin G. Hicks [15] [17]

22 Gregory W. Kauffman [41] [43] [47] [54]

23 James J. Knittel [58]

24 Diana Hunter LaFemina [6]

25 Richard G. Lawson [12] [13] [14]

26 Brian E. Mattioni [50] [51] [54] [58]

27 Heidi Engelhardt McClelland [40]

28 Nathan R. McElroy [45] [53]

29 Brooke E. Mitchell [28] [30] [34] [35]

30 Philip D. Mosier [48]

31 Steven M. Muskal [32]

32 Javier N. Narvaez [7]

33 Todd M. Nelson [23]

34 Su J. Patankar [42] [49] [52] [55]

35 Greg M. Pearl [54]

36 Lucio Pietrantonio [1]

37 Milan Randic [11]

38 David T. Stanton [15] [17] [19] [58] [59]

39 Terry R. Stouch [7] [8] [9] [10]

40 A. J. Stuper [2] [3] [4]

41 Jon M. Sutter [25] [29]

42 E. D. Thompson [53]

43 John W. Tolan [32]

44 Brian E. Turner [33]

45 Matthew D. Wessel [22] [24] [26] [32]

Colors in the list of coauthors

1	Lawrence S. Anker	[18]
2	Gregory A. Bakken	[38] [39] [44]
3	Jon W. Ball	[18]
4	W. E. Brugger	[4]
5	Ting Chen	[62] [63] [64]
6	J. T. Chou	[5]
7	Deborah L. Clouser	[27]
8	Chandra L. Costello	[33]
9	Laura L. Custer	[54]
10	Maria Czerwinski	[7]
11	Stephen M. Danauskas	[46]
12	Steven L. Dixon	[21] [25]
13	Stephen K. Durham	[54]
14	Debojyoti Dutta	[62] [63] [64]
15	Leanne M. Egolf	[17] [20] [22]
16	Heidi L. Engelhardt	[31]
17	Todd L. Friedman	[18]
18	Eric S. Goll	[36] [37]
19	Rajarshi Guha	[56] [57] [59] [60] [61] [62] [63] [64]
20	Peter J. Hansen	[11]
21	Martin G. Hicks	[15] [17]
22	Gregory W. Kauffman	[41] [43] [47] [54]
23	James J. Knittel	[58]
24	Diana Hunter LaFemina	[6]
25	Richard G. Lawson	[12] [13] [14]
26	Brian E. Mattioni	[50] [51] [54] [58]
27	Heidi Engelhardt McClelland	[40]
28	Nathan R. McElroy	[45] [53]
29	Brooke E. Mitchell	[28] [30] [34] [35]
30	Philip D. Mosier	[48]
31	Steven M. Muskal	[32]
32	Javier N. Narvaez	[7]
33	Todd M. Nelson	[23]
34	Su J. Patankar	[42] [49] [52] [55]
35	Greg M. Pearl	[54]
36	Lucio Pietrantonio	[1]
37	Milan Randic	[11]
38	David T. Stanton	[15] [17] [19] [58] [59]
39	Terry R. Stouch	[7] [8] [9] [10]
40	A. J. Stuper	[2] [3] [4]
41	Jon M. Sutter	[25] [29]
42	E. D. Thompson	[53]
43	John W. Tolan	[32]
44	Brian E. Turner	[33]
45	Matthew D. Wessel	[22] [24] [26] [32]