Chemical Informatics
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Efficient Identification of Tanimoto Nearest Neighbors.
David C. Anastasiu and George Karypis. IEEE International Conference on Data Science and Advanced Analytics (DSAA), 2016.
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Improved Machine Learning Models for Predicting Selective Compounds.
Xia Ning and George Karypis. Journal of Chemical Information and Modeling, 58, pp. 38-50, 2012.
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Computational Tools for Protein-DNA Interactions.
Chris Kauffman and George Karypis. WIREs Data Mining and Knowledge Discovery, 2(1): 14-28, 2012.
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Improved Machine Learning Models for Predicting Selective Compounds.
Xia Ning, Michael Walters, and George Karypis. ACM Conference on Bioinformatics, Computational Biology and Biomedicine. Chicago, 2011.
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Assessing Synthetic Accessibility of Chemical Compounds Using Machine Learning Methods.
Yevgeniy Podolyan, Michael Walters, and George Karypis. Journal of Chemical Information and Modeling, Vol. 50, pp. 979—991, 2010.
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Common Pharmacophore Identification Using Frequent Clique Detection Algorithm.
Yevgeniy Podolyan and George Karypis. Journal of Chemical Information and Modeling, 2008.
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Interleaving of Gate Sizing and Constructive Placement for Predictable Performance.
Sungjae Kim, Eugene Shragowitz, George Karypis, and Rung-Bin Lin . International Symposium on VLSI Design, Automation, and Test, pp. 1-4, 2007.
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Comparison of Descriptor Spaces for Chemical Compound Retrieval and Classification.
Nikil Wale, Ian Watson, and George Karypis. Knowledge and Information Systems, 2007.
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Methods for Effective Virtual Screening and Scaffold-Hopping in Chemical Compounds.
Nikil Wale and George Karypis. Computational Systems Biology (CSB), pp. 403-416, 2007.
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