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Peter C. Jurs

Pennsylvania State University

262

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Prediction of Autoignition Temperatures of Organic Compounds from Molecular Structure.

2010 ChemInform
- Brooke E. Mitchell
- Peter C. Jurs
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Prediction of Aqueous Solubility of Heteroatom-Containing Organic Compounds from Molecular Structure.

2010 ChemInform
- Nathan R. McElroy
- Peter C. Jurs
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13C Nuclear Magnetic Resonance Spectrum Simulation

2010 ChemInform
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Prediction of IC50 Values for ACAT Inhibitors from Molecular Structure.

2010 ChemInform
- Su J. Patankar
- Peter C. Jurs
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Development of Quantitative Structure—Activity Relationship and Classification Models for a Set of Carbonic Anhydrase Inhibitors.

2010 ChemInform
- Brian E. Mattioni
- Peter C. Jurs
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Prediction of Critical Temperatures and Pressures of Industrially Important Organic Compounds from Molecular Structure.

2010 ChemInform
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Prediction of Acute Mammalian Toxicity from Molecular Structure for a Diverse Set of Substituted Anilines Using Regression Analysis and Computational Neural Networks

2007
- Stephen R. Johnson
- Peter C. Jurs
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Scalable partitioning and exploration of chemical spaces using geometric hashing

2006 Journal of Chemical Information and Modeling
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Determining the Validity of a QSAR Model ? A Classification Approach.

2005 ChemInform
- Rajarshi Guha
- Peter C. Jurs
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Interpreting Computational Neural Network Quantitative Structure−Activity Relationship Models: A Detailed Interpretation of the Weights and Biases

2005 Journal of Chemical Information and Modeling
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