Determining the Validity of a QSAR Model − A Classification Approach von Guha, Rajarshi, Jurs, Peter C

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Classification of Multidrug-Resistance Reversal Agents Using Structure-Based Descriptors and Linear Discriminant Analysis von Bakken, Gregory A, Jurs, Peter C

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QSAR and Classification of Murine and Human Soluble Epoxide Hydrolase Inhibition by Urea-Like Compounds von McElroy, Nathan R, Jurs, Peter C, Morisseau, Christophe, Hammock, Bruce D

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Development and use of charged partial surface area structural descriptors in computer-assisted quantitative structure-property relationship studies von Stanton, David T, Jurs, Peter C

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Interpreting Computational Neural Network QSAR Models:  A Measure of Descriptor Importance von Guha, Rajarshi, Jurs, Peter C

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Assessing the reliability of a QSAR model's predictions von He, Linnan, Jurs, Peter C.

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Prediction of Glass Transition Temperatures from Monomer and Repeat Unit Structure Using Computational Neural Networks von Mattioni, Brian E, Jurs, Peter C

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Development of Linear, Ensemble, and Nonlinear Models for the Prediction and Interpretation of the Biological Activity of a Set of PDGFR Inhibitors von Guha, Rajarshi, Jurs, Peter C

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Local Lazy Regression:  Making Use of the Neighborhood to Improve QSAR Predictions von Guha, Rajarshi, Dutta, Debojyoti, Jurs, Peter C, Chen, Ting

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Prediction of Human Intestinal Absorption of Drug Compounds from Molecular Structure von Wessel, Matthew D, Jurs, Peter C, Tolan, John W, Muskal, Steven M

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Development of QSAR Models To Predict and Interpret the Biological Activity of Artemisinin Analogues von Guha, Rajarshi, Jurs, Peter C

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Interpreting Computational Neural Network Quantitative Structure−Activity Relationship Models:  A Detailed Interpretation of the Weights and Biases von Guha, Rajarshi, Stanton, David T, Jurs, Peter C

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Prediction of Fathead Minnow Acute Toxicity of Organic Compounds from Molecular Structure von Eldred, Donald V, Weikel, Cara L, Jurs, Peter C, Kaiser, Klaus L. E

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QSAR/QSPR Studies Using Probabilistic Neural Networks and Generalized Regression Neural Networks von Mosier, Philip D, Jurs, Peter C

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Prediction of carbon-13 nuclear magnetic resonance chemical shifts by artificial neural networks von Anker, Lawrence S, Jurs, Peter C

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Prediction of Aqueous Solubility of Heteroatom-Containing Organic Compounds from Molecular Structure von McElroy, Nathan R, Jurs, Peter C

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Generation of QSAR sets with a self-organizing map von Guha, Rajarshi, Serra, Jon R., Jurs, Peter C.

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R-NN Curves:  An Intuitive Approach to Outlier Detection Using a Distance Based Method von Guha, Rajarshi, Dutta, Debojyoti, Jurs, Peter C, Chen, Ting

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Quantitative structure-retention relationship studies of sulfur vesicants von Woloszyn, Thomas F, Jurs, Peter C

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Scalable Partitioning and Exploration of Chemical Spaces Using Geometric Hashing von Dutta, Debojyoti, Guha, Rajarshi, Jurs, Peter C, Chen, Ting

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