Academic literature on the topic 'McMaster University Clathrate compounds'

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Journal articles on the topic "McMaster University Clathrate compounds"

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Rogers, David, Robert D. Brown, and Mathew Hahn. "Using Extended-Connectivity Fingerprints with Laplacian-Modified Bayesian Analysis in High-Throughput Screening Follow-Up." Journal of Biomolecular Screening 10, no. 7 (2005): 682–86. http://dx.doi.org/10.1177/1087057105281365.

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This article describes the use of a combination of extended-connectivity fingerprints (ECFPs) and Laplacian-modified Bayesian analysis in a study of the inhibition of Escherichia coli dihydrofolate reductase. The McMaster High-Throughput Screening Lab at McMaster University proposed a competition to predict the hits in a separate test set of 50,000 compounds. Although the problem seemed best approached with 3D methods, the authors show that 2D methods offer surprisingly competitive results with a low computational cost.
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Lang, Paula Therese, Irwin D. Kuntz, Gerald M. Maggiora, and Jürgen Bajorath. "Evaluating the High-Throughput Screening Computations." Journal of Biomolecular Screening 10, no. 7 (2005): 649–52. http://dx.doi.org/10.1177/1087057105281269.

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The judges evaluated the submissions for the McMaster University High-Throughput Data-Mining and Docking Competition based on 3 criteria: identification of active compounds, percent enrichment, and overview of the competition. Using these metrics, 4 of the participating groups found meaningful enrichment, and 3 groups made perceptive comments about the general nature of the competition.
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Gagarin, Andrei, Vladimir Makarenkov, and Pablo Zentilli. "Using Clustering Techniques to Improve Hit Selection in High-Throughput Screening." Journal of Biomolecular Screening 11, no. 8 (2006): 903–14. http://dx.doi.org/10.1177/1087057106293590.

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A typical modern high-throughput screening (HTS) operation consists of testing thousands of chemical compounds to select active ones for future detailed examination. The authors describe 3 clustering techniques that can be used to improve the selection of active compounds (i.e., hits). They are designed to identify quality hits in the observed HTS measurements. The considered clustering techniques were first tested on simulated data and then applied to analyze the assay inhibiting Escherichia coli dihydrofo-late reductase produced at the HTS laboratory of McMaster University.
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Dissertations / Theses on the topic "McMaster University Clathrate compounds"

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Bandara, Nilantha. "Guest intercalation into metal halide inorganic-organic layered perovskite hybrid solids and hydrothermal synthesis of tin oxide spheres." Master's thesis, Mississippi State : Mississippi State University, 2008. http://library.msstate.edu/etd/show.asp?etd=etd-10312008-212759.

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Zhang, Yongcheng. "Part I. Natural fiber / thermoplastic composites Part II. Studies of organo-clay synthesis and clay intercalation by epoxy resins /." Diss., Mississippi State : Mississippi State University, 2008. http://library.msstate.edu/etd/show.asp?etd=etd-11032008-094748.

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