Michael Daszykowski

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The main principles and the algorithm of a density-based clustering approach, OPTICS, are described, and its unique properties, such as the ability to reveal clusters of arbitrary shapes and different densities, are illustrated on simulated and real spectral and chromatographic data sets. A "reachability plot" visualizing density fluctuations of data in(More)
Proton nuclear magnetic resonance (1H NMR) spectroscopic analysis of mixtures has been used extensively for a variety of applications ranging from the analysis of plant extracts, wine, and food to the evaluation of toxicity in animals. For example, NMR analysis of urine samples has been used extensively for biomarker discovery and, more simply, for the(More)
In this paper, the performance of new clustering methods such as Neural Gas (NG) and Growing Neural Gas (GNG) is compared with the K-means method for real and simulated data sets. Moreover, a new algorithm called growing K-means, GK, is introduced as the alternative to Neural Gas and Growing Neural Gas. It has small input requirements and is conceptually(More)
In this paper, the application of Classification And Regression Trees (CART) is presented for the analysis of biological activity of Non-Nucleoside Reverse Transcriptase Inhibitors (NNRTIs). The data consist of the biological activities, expressed as pIC50, of 208 NNRTIs against wild-type HIV virus (HIV-1) and four mutant strains (181C, 103N, 100I, 188L)(More)
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