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Formal Concept Analysis Applications in Chemistry: From Radionuclides and Molecular Structure to Toxicity and Diagnosis

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Partial Order Concepts in Applied Sciences

Abstract

Recent chemical applications of Formal Concept Analysis are reviewed, showing that molecular structure and activity of substances may be related through association rules, which is exemplified for mutagenicity and hepatotoxicity cases. Nuclear chemistry and nuclear medicine cases are explored, where attributes of radionuclides are related. A study of biotechnology application to uranium bioremediation is conducted and some Gram-positive bacteria are found as better uranium uptakers.

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Acknowledgements

N. Y. Quintero thanks Colciencias (Colombia) for the Ph.D. grant to conduct the current study. She also thanks Professors A. Nakajima and T. Reitz for their valuable comments regarding U bioremediation. G. Restrepo thanks the Alexander von Humboldt Foundation/Stiftung and the Universidad de Pamplona for the support to conduct this research.

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Authors and Affiliations

  1. Laboratorio de Química Teórica, Universidad de Pamplona, Pamplona, Colombia

    Nancy Y. Quintero & Guillermo Restrepo

  2. Universidad de Antioquia, Antioquia, Colombia

    Nancy Y. Quintero

  3. Universidad Pontificia Bolivariana, Antioquia, Colombia

    Nancy Y. Quintero

  4. Universidad Católica de Oriente, Antioquia, Colombia

    Nancy Y. Quintero

  5. Bioinformatics Group, Department of Computer Science, Universität Leipzig, Leipzig, Germany

    Guillermo Restrepo

Authors
  1. Nancy Y. Quintero
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  2. Guillermo Restrepo
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Correspondence to Guillermo Restrepo .

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Editors and Affiliations

  1. Department of Statistics and Quantitative Methods, University of Milan “Milano-Biccoca”, Milan, Italy

    Marco Fattore

  2. Leibniz—Institute of Freshwater Ecology and Inland Fisheries, Berlin, Germany

    Rainer Bruggemann

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Quintero, N.Y., Restrepo, G. (2017). Formal Concept Analysis Applications in Chemistry: From Radionuclides and Molecular Structure to Toxicity and Diagnosis. In: Fattore, M., Bruggemann, R. (eds) Partial Order Concepts in Applied Sciences. Springer, Cham. https://doi.org/10.1007/978-3-319-45421-4_14

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