Peter C. Jurs
According to our database1,
Peter C. Jurs
authored at least 64 papers
between 1972 and 2006.
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Book In proceedings Article PhD thesis Dataset OtherLinks
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Bibliography
2006
J. Chem. Inf. Model., 2006
<i>R</i>-NN Curves: An Intuitive Approach to Outlier Detection Using a Distance Based Method.
J. Chem. Inf. Model., 2006
J. Chem. Inf. Model., 2006
2005
Interpreting Computational Neural Network Quantitative Structure-Activity Relationship Models: A Detailed Interpretation of the Weights and Biases.
J. Chem. Inf. Model., 2005
Interpreting Computational Neural Network QSAR Models: A Measure of Descriptor Importance.
J. Chem. Inf. Model., 2005
J. Chem. Inf. Model., 2005
2004
Development and Use of Hydrophobic Surface Area (HSA) Descriptors for Computer-Assisted Quantitative Structure-Activity and Structure-Property Relationship Studies.
J. Chem. Inf. Model., 2004
Development of Linear, Ensemble, and Nonlinear Models for the Prediction and Interpretation of the Biological Activity of a Set of PDGFR Inhibitors.
J. Chem. Inf. Model., 2004
Development of QSAR Models To Predict and Interpret the Biological Activity of Artemisinin Analogues.
J. Chem. Inf. Model., 2004
2003
Classification of Inhibitors of Protein Tyrosine Phosphatase 1B Using Molecular Structure Based Descriptors.
J. Chem. Inf. Comput. Sci., 2003
Classification of Diverse Organic Compounds That Induce Chromosomal Aberrations in Chinese Hamster Cells.
J. Chem. Inf. Comput. Sci., 2003
Predicting the Genotoxicity of Secondary and Aromatic Amines Using Data Subsetting To Generate a Model Ensemble.
J. Chem. Inf. Comput. Sci., 2003
Classification of HIV protease inhibitors on the basis of their antiviral potency using radial basis function neural networks.
J. Comput. Aided Mol. Des., 2003
2002
J. Chem. Inf. Comput. Sci., 2002
QSAR/QSPR Studies Using Probabilistic Neural Networks and Generalized Regression Neural Networks.
J. Chem. Inf. Comput. Sci., 2002
Prediction of Glass Transition Temperatures from Monomer and Repeat Unit Structure Using Computational Neural Networks.
J. Chem. Inf. Comput. Sci., 2002
Development of Quantitative Structure-Activity Relationship and Classification Models for a Set of Carbonic Anhydrase Inhibitors.
J. Chem. Inf. Comput. Sci., 2002
2001
Prediction of Aqueous Solubility of Heteroatom-Containing Organic Compounds from Molecular Structure.
J. Chem. Inf. Comput. Sci., 2001
QSAR and k-Nearest Neighbor Classification Analysis of Selective Cyclooxygenase-2 Inhibitors Using Topologically-Based Numerical Descriptors.
J. Chem. Inf. Comput. Sci., 2001
Prediction of Surface Tension, Viscosity, and Thermal Conductivity for Common Organic Solvents Using Quantitative Structure-Property Relationships.
J. Chem. Inf. Comput. Sci., 2001
J. Chem. Inf. Comput. Sci., 2001
QSARs for 6-Azasteroids as Inhibitors of Human Type 1 5-Reductase: Prediction of Binding Affinity and Selectivity Relative to 3-BHSD.
J. Chem. Inf. Comput. Sci., 2001
2000
J. Chem. Inf. Comput. Sci., 2000
Quantitative Structure-Property Relationships for the Prediction of Vapor Pressures of Organic Compounds from Molecular Structures.
J. Chem. Inf. Comput. Sci., 2000
Prediction of Inhibition of the Sodium Ion-Proton Antiporter by Benzoylguanidine Derivatives from Molecular Structure.
J. Chem. Inf. Comput. Sci., 2000
1999
Prediction of Vapor Pressures of Hydrocarbons and Halohydrocarbons from Molecular Structure with a Computational Neural Network Model.
J. Chem. Inf. Comput. Sci., 1999
Prediction of the Normal Boiling Points of Organic Compounds from Molecular Structures with a Computational Neural Network Model.
J. Chem. Inf. Comput. Sci., 1999
J. Chem. Inf. Comput. Sci., 1999
J. Chem. Inf. Comput. Sci., 1999
1998
Prediction of Human Intestinal Absorption of Drug Compounds from Molecular Structure.
J. Chem. Inf. Comput. Sci., 1998
Prediction of Critical Temperatures and Pressures of Industrially Important Organic Compounds from Molecular Structure.
J. Chem. Inf. Comput. Sci., 1998
J. Chem. Inf. Comput. Sci., 1998
Prediction of Infinite Dilution Activity Coefficients of Organic Compounds in Aqueous Solution from Molecular Structure.
J. Chem. Inf. Comput. Sci., 1998
1997
Prediction of Autoignition Temperatures of Organic Compounds from Molecular Structure.
J. Chem. Inf. Comput. Sci., 1997
Prediction of Supercritical Carbon Dioxide Solubility of Organic Compounds from Molecular Structure.
J. Chem. Inf. Comput. Sci., 1997
1996
Prediction of Aqueous Solubility for a Diverse Set of Heteroatom-Containing Organic Compounds Using a Quantitative Structure-Property Relationship.
J. Chem. Inf. Comput. Sci., 1996
J. Chem. Inf. Comput. Sci., 1996
Simulation of the 13C Nuclear Magnetic Resonance Spectra of Ribonucleosides Using Multiple Linear Regression Analysis and Neural Networks.
J. Chem. Inf. Comput. Sci., 1996
1995
Prediction of Normal Boiling Points for a Diverse Set of Industrially Important Organic Compounds from Molecular Structure.
J. Chem. Inf. Comput. Sci., 1995
J. Chem. Inf. Comput. Sci., 1995
Automated Descriptor Selection for Quantitative Structure-Activity Relationships Using Generalized Simulated Annealing.
J. Chem. Inf. Comput. Sci., 1995
1994
J. Chem. Inf. Comput. Sci., 1994
Prediction of boiling points and critical temperatures of industrially important organic compounds from molecular structure.
J. Chem. Inf. Comput. Sci., 1994
Fast Geometry Optimization Using a Modifed Extended Hückel Method: Results for Molecules Containing H, C, N, O, and F.
J. Comput. Chem., 1994
1993
Prediction of boiling points of organic heterocyclic compounds using regression and neural network techniques.
J. Chem. Inf. Comput. Sci., 1993
Estimation of p<i>K</i><sub>a</sub> for organic oxyacids using calculated atomic charges.
J. Comput. Chem., 1993
1992
Computer-assisted study of the relationship between molecular structure and surface tension of organic compounds.
J. Chem. Inf. Comput. Sci., 1992
J. Chem. Inf. Comput. Sci., 1992
J. Chem. Inf. Comput. Sci., 1992
1991
Computer-assisted prediction of normal boiling points of furans, tetrahydrofurans, and thiophenes.
J. Chem. Inf. Comput. Sci., 1991
1990
J. Chem. Inf. Comput. Sci., 1990
J. Chem. Inf. Comput. Sci., 1990
1988
J. Chem. Inf. Comput. Sci., 1988
1986
A simple method for the representation, quantification, and comparison of the volumes and shapes of chemical compounds.
J. Chem. Inf. Comput. Sci., 1986
1985
Monte Carlo studies of the classifications made by nonparametric linear discriminant functions. 2. Effects of nonideal data.
J. Chem. Inf. Comput. Sci., 1985
Monte Carlo studies of the classifications made by nonparametric linear discriminant functions.
J. Chem. Inf. Comput. Sci., 1985
J. Chem. Inf. Comput. Sci., 1985
J. Chem. Inf. Comput. Sci., 1985
1979
Computer-Assisted Computation of Partition Coefficients from Molecular Structures Using Fragment Constants.
J. Chem. Inf. Comput. Sci., 1979
1976
ADAPT: A Computer System for Automated Data Analysis Using Pattern Recognition Techniques.
J. Chem. Inf. Comput. Sci., 1976
J. Chem. Inf. Comput. Sci., 1976
1972
Iterative least squares development of discriminant functions for spectroscopic data analysis by pattern recognition.
Pattern Recognit., 1972