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Peter C. Jurs

Affiliations: 
Pennsylvania State University, State College, PA, United States 
Area:
Computational Chemistry
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Parents

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Thomas Lee Isenhour grad student 1969 University of Washington

Children

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Heidi E. McClelland grad student 2000 Penn State
Gregory A. Bakken grad student 2001 Penn State
Gregory W. Kauffmann grad student 2002 Penn State
Brian E. Mattioni grad student 2003 Penn State
Nathan R. McElroy grad student 2003 Penn State
Philip D. Mosier grad student 2003 Penn State
Suhas J. Patankar grad student 2003 Penn State
Jon R. Serra grad student 2004 Penn State
Rajarshi Guha grad student 2005 Penn State
Linnan He grad student 2005 Penn State

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Publications

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Johnson SR, Jurs PC. (2007) Prediction of Acute Mammalian Toxicity from Molecular Structure for a Diverse Set of Substituted Anilines Using Regression Analysis and Computational Neural Networks Computer-Assisted Lead Finding and Optimization: Current Tools For Medicinal Chemistry. 29-48
Guha R, Dutta D, Jurs PC, et al. (2006) Local lazy regression: making use of the neighborhood to improve QSAR predictions. Journal of Chemical Information and Modeling. 46: 1836-47
Guha R, Dutta D, Jurs PC, et al. (2006) R-NN curves: an intuitive approach to outlier detection using a distance based method. Journal of Chemical Information and Modeling. 46: 1713-22
Dutta D, Guha R, Jurs PC, et al. (2006) Scalable partitioning and exploration of chemical spaces using geometric hashing. Journal of Chemical Information and Modeling. 46: 321-33
Guha R, Stanton DT, Jurs PC. (2005) Interpreting computational neural network quantitative structure-activity relationship models: a detailed interpretation of the weights and biases. Journal of Chemical Information and Modeling. 45: 1109-21
Guha R, Jurs PC. (2005) Interpreting computational neural network QSAR models: a measure of descriptor importance. Journal of Chemical Information and Modeling. 45: 800-6
He L, Jurs PC. (2005) Assessing the reliability of a QSAR model's predictions. Journal of Molecular Graphics & Modelling. 23: 503-23
He L, Jurs PC, Kreatsoulas C, et al. (2005) Probabilistic neural network multiple classifier system for predicting the genotoxicity of quinolone and quinoline derivatives. Chemical Research in Toxicology. 18: 428-40
Guha R, Jurs PC. (2005) Determining the validity of a QSAR model--a classification approach. Journal of Chemical Information and Modeling. 45: 65-73
Guha R, Jurs PC. (2004) 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 Computer Sciences. 44: 2179-89
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