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Peter C. Jurs: [Publications] [Author Rank by year] [Co-authors] [Prefers] [Cites] [Cited by]

Publications of Author

  1. Su J. Patankar, Peter C. Jurs
    Classification of HIV protease inhibitors on the basis of their antiviral potency using radial basis function neural networks. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 2003, v:17, n:2-4, pp:155-171 [Journal]
  2. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1994, v:15, n:7, pp:733-746 [Journal]
  3. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:5, pp:1255-1265 [Journal]
  4. Gregory A. Bakken, Peter C. Jurs
    Prediction of Methyl Radical Addition Rate Constants from Molecular Structure. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1999, v:39, n:3, pp:508-514 [Journal]
  5. Gregory A. Bakken, Peter C. Jurs
    Prediction of Hydroxyl Radical Rate Constants from Molecular Structure. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1999, v:39, n:6, pp:1064-1075 [Journal]
  6. W. E. Brugger, A. J. Stuper, Peter C. Jurs
    Generation of Descriptors from Molecular Structures. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1976, v:16, n:2, pp:105-110 [Journal]
  7. J. T. Chou, Peter C. Jurs
    Computer-Assisted Computation of Partition Coefficients from Molecular Structures Using Fragment Constants. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1979, v:19, n:3, pp:172-178 [Journal]
  8. Deborah L. Clouser, Peter C. Jurs
    Simulation of the 13C Nuclear Magnetic Resonance Spectra of Ribonucleosides Using Multiple Linear Regression Analysis and Neural Networks. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1996, v:36, n:2, pp:168-172 [Journal]
  9. Stephen M. Danauskas, Peter C. Jurs
    Prediction of C60 Solubilities from Solvent Molecular Structures. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:2, pp:419-424 [Journal]
  10. Debojyoti Dutta, Rajarshi Guha, Peter C. Jurs, Ting Chen
    Scalable Partitioning and Exploration of Chemical Spaces Using Geometric Hashing. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:1, pp:321-333 [Journal]
  11. Leanne M. Egolf, Peter C. Jurs
    Prediction of boiling points of organic heterocyclic compounds using regression and neural network techniques. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1993, v:33, n:4, pp:616-625 [Journal]
  12. Leanne M. Egolf, Matthew D. Wessel, Peter C. Jurs
    Prediction of boiling points and critical temperatures of industrially important organic compounds from molecular structure. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1994, v:34, n:4, pp:947-956 [Journal]
  13. Heidi L. Engelhardt, Peter C. Jurs
    Prediction of Supercritical Carbon Dioxide Solubility of Organic Compounds from Molecular Structure. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1997, v:37, n:3, pp:478-484 [Journal]
  14. Eric S. Goll, Peter C. Jurs
    Prediction of the Normal Boiling Points of Organic Compounds from Molecular Structures with a Computational Neural Network Model. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1999, v:39, n:6, pp:974-983 [Journal]
  15. Eric S. Goll, Peter C. Jurs
    Prediction of Vapor Pressures of Hydrocarbons and Halohydrocarbons from Molecular Structure with a Computational Neural Network Model. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1999, v:39, n:6, pp:1081-1089 [Journal]
  16. Rajarshi Guha, Debojyoti Dutta, Peter C. Jurs, Ting Chen
    R-NN Curves: An Intuitive Approach to Outlier Detection Using a Distance Based Method. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1713-1722 [Journal]
  17. Rajarshi Guha, Debojyoti Dutta, Peter C. Jurs, Ting Chen
    Local Lazy Regression: Making Use of the Neighborhood to Improve QSAR Predictions. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1836-1847 [Journal]
  18. Rajarshi Guha, Peter C. Jurs
    Development of QSAR Models To Predict and Interpret the Biological Activity of Artemisinin Analogues. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1440-1449 [Journal]
  19. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2179-2189 [Journal]
  20. Rajarshi Guha, Peter C. Jurs
    Determining the Validity of a QSAR Model - A Classification Approach. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:1, pp:65-73 [Journal]
  21. Rajarshi Guha, Peter C. Jurs
    Interpreting Computational Neural Network QSAR Models: A Measure of Descriptor Importance. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:800-806 [Journal]
  22. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1109-1121 [Journal]
  23. Peter C. Jurs
    Mathematica. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1992, v:32, n:4, pp:388-391 [Journal]
  24. Peter C. Jurs, Jon W. Ball, Lawrence S. Anker, Todd L. Friedman
    Carbon-13 nuclear magnetic resonance spectrum simulation. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1992, v:32, n:4, pp:272-278 [Journal]
  25. Peter C. Jurs, Terry R. Stouch, Maria Czerwinski, Javier N. Narvaez
    Computer-assisted studies of molecular structure biological activity relationships. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1985, v:25, n:3, pp:296-308 [Journal]
  26. Gregory W. Kauffman, Peter C. Jurs
    Prediction of Inhibition of the Sodium Ion-Proton Antiporter by Benzoylguanidine Derivatives from Molecular Structure. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2000, v:40, n:3, pp:753-761 [Journal]
  27. Gregory W. Kauffman, Peter C. Jurs
    Prediction of Surface Tension, Viscosity, and Thermal Conductivity for Common Organic Solvents Using Quantitative Structure-Property Relationships. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:2, pp:408-418 [Journal]
  28. Gregory W. Kauffman, Peter C. Jurs
    QSAR and k-Nearest Neighbor Classification Analysis of Selective Cyclooxygenase-2 Inhibitors Using Topologically-Based Numerical Descriptors. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:6, pp:1553-1560 [Journal]
  29. Diana Hunter LaFemina, Peter C. Jurs
    A numerical index for characterizing data set separation. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1985, v:25, n:4, pp:386-388 [Journal]
  30. Richard G. Lawson, Peter C. Jurs
    New index for clustering tendency and its application to chemical problems. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1990, v:30, n:1, pp:36-41 [Journal]
  31. Richard G. Lawson, Peter C. Jurs
    Cluster analysis of acrylates to guide sampling for toxicity testing. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1990, v:30, n:2, pp:137-144 [Journal]
  32. Richard G. Lawson, Peter C. Jurs
    Cluster analysis of acrylates to guide sampling for toxicity testing. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1991, v:31, n:2, pp:361- [Journal]
  33. Brian E. Mattioni, Peter C. Jurs
    Development of Quantitative Structure-Activity Relationship and Classification Models for a Set of Carbonic Anhydrase Inhibitors. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2002, v:42, n:1, pp:94-102 [Journal]
  34. Brian E. Mattioni, Peter C. Jurs
    Prediction of Glass Transition Temperatures from Monomer and Repeat Unit Structure Using Computational Neural Networks. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2002, v:42, n:2, pp:232-240 [Journal]
  35. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:3, pp:949-963 [Journal]
  36. Heidi Engelhardt McClelland, Peter C. Jurs
    Quantitative Structure-Property Relationships for the Prediction of Vapor Pressures of Organic Compounds from Molecular Structures. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2000, v:40, n:4, pp:967-975 [Journal]
  37. Nathan R. McElroy, Peter C. Jurs
    Prediction of Aqueous Solubility of Heteroatom-Containing Organic Compounds from Molecular Structure. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:5, pp:1237-1247 [Journal]
  38. Nathan R. McElroy, E. D. Thompson, Peter C. Jurs
    Classification of Diverse Organic Compounds That Induce Chromosomal Aberrations in Chinese Hamster Cells. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:6, pp:2111-2119 [Journal]
  39. Brooke E. Mitchell, Peter C. Jurs
    Computer Assisted Simulation of 13C Nuclear Magnetic Spectra of Monosaccharides. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1996, v:36, n:1, pp:58-64 [Journal]
  40. Philip D. Mosier, Peter C. Jurs
    QSAR/QSPR Studies Using Probabilistic Neural Networks and Generalized Regression Neural Networks. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2002, v:42, n:6, pp:1460-1470 [Journal]
  41. Brooke E. Mitchell, Peter C. Jurs
    Prediction of Autoignition Temperatures of Organic Compounds from Molecular Structure. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1997, v:37, n:3, pp:538-547 [Journal]
  42. Brooke E. Mitchell, Peter C. Jurs
    Prediction of Infinite Dilution Activity Coefficients of Organic Compounds in Aqueous Solution from Molecular Structure. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1998, v:38, n:2, pp:200-209 [Journal]
  43. Brooke E. Mitchell, Peter C. Jurs
    Prediction of Aqueous Solubility of Organic Compounds from Molecular Structure. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1998, v:38, n:3, pp:489-496 [Journal]
  44. Todd M. Nelson, Peter C. Jurs
    Prediction of Aqueous Solubility of Organic Compounds. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1994, v:34, n:3, pp:601-609 [Journal]
  45. Su J. Patankar, Peter C. Jurs
    Prediction of IC50 Values for ACAT Inhibitors from Molecular Structure. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2000, v:40, n:3, pp:706-723 [Journal]
  46. Su J. Patankar, Peter C. Jurs
    Prediction of Glycine/NMDA Receptor Antagonist Inhibition from Molecular Structure. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2002, v:42, n:5, pp:1053-1068 [Journal]
  47. Su J. Patankar, Peter C. Jurs
    Classification of Inhibitors of Protein Tyrosine Phosphatase 1B Using Molecular Structure Based Descriptors. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:3, pp:885-899 [Journal]
  48. Milan Randic, Peter J. Hansen, Peter C. Jurs
    Search for useful graph theoretical invariants of molecular structure. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1988, v:28, n:2, pp:60-68 [Journal]
  49. David T. Stanton, Leanne M. Egolf, Peter C. Jurs, Martin G. Hicks
    Computer-assisted prediction of normal boiling points of pyrans and pyrroles. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1992, v:32, n:4, pp:306-316 [Journal]
  50. David T. Stanton, Peter C. Jurs
    Computer-assisted study of the relationship between molecular structure and surface tension of organic compounds. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1992, v:32, n:1, pp:109-115 [Journal]
  51. David T. Stanton, Peter C. Jurs, Martin G. Hicks
    Computer-assisted prediction of normal boiling points of furans, tetrahydrofurans, and thiophenes. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1991, v:31, n:2, pp:301-310 [Journal]
  52. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:3, pp:1010-1023 [Journal]
  53. Terry R. Stouch, Peter C. Jurs
    Monte Carlo studies of the classifications made by nonparametric linear discriminant functions. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1985, v:25, n:1, pp:45-50 [Journal]
  54. Terry R. Stouch, Peter C. Jurs
    Monte Carlo studies of the classifications made by nonparametric linear discriminant functions. 2. Effects of nonideal data. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1985, v:25, n:2, pp:92-98 [Journal]
  55. Terry R. Stouch, Peter C. Jurs
    A simple method for the representation, quantification, and comparison of the volumes and shapes of chemical compounds. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1986, v:26, n:1, pp:4-12 [Journal]
  56. A. J. Stuper, Peter C. Jurs
    ADAPT: A Computer System for Automated Data Analysis Using Pattern Recognition Techniques. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1976, v:16, n:2, pp:99-105 [Journal]
  57. A. J. Stuper, Peter C. Jurs
    Reliability of Nonparametric Linear Classifers. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1976, v:16, n:4, pp:238-241 [Journal]
  58. Jon M. Sutter, Steven L. Dixon, Peter C. Jurs
    Automated Descriptor Selection for Quantitative Structure-Activity Relationships Using Generalized Simulated Annealing. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1995, v:35, n:1, pp:77-84 [Journal]
  59. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1996, v:36, n:1, pp:100-107 [Journal]
  60. Brian E. Turner, Chandra L. Costello, Peter C. Jurs
    Prediction of Critical Temperatures and Pressures of Industrially Important Organic Compounds from Molecular Structure. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1998, v:38, n:4, pp:639-645 [Journal]
  61. Matthew D. Wessel, Peter C. Jurs
    Prediction of Normal Boiling Points of Hydrocarbons from Molecular Structure. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1995, v:35, n:1, pp:68-76 [Journal]
  62. Matthew D. Wessel, Peter C. Jurs
    Prediction of Normal Boiling Points for a Diverse Set of Industrially Important Organic Compounds from Molecular Structure. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1995, v:35, n:5, pp:841-850 [Journal]
  63. Matthew D. Wessel, Peter C. Jurs, John W. Tolan, Steven M. Muskal
    Prediction of Human Intestinal Absorption of Drug Compounds from Molecular Structure. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1998, v:38, n:4, pp:726-735 [Journal]
  64. Lucio Pietrantonio, Peter C. Jurs
    Iterative least squares development of discriminant functions for spectroscopic data analysis by pattern recognition. [Citation Graph (0, 0)][DBLP]
    Pattern Recognition, 1972, v:4, n:4, pp:391-400 [Journal]

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