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Similarity and Analogy Based on Discrimination Net

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Chemical Structures 2

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Abstract

A discrimination net mechanism is introduced to search for similar molecules. Similarity between molecular structures reflects the viewpoint defined by an anchor component. Two analogical reasoning methods are formulated to estimate a molecular property. These are implemented as software DNET/MS, which is applied to the acidity estimation and to the qualitative recognition of structure-activity relationships.

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References

  1. Okada, T.; Kawai, T. ‘Analogical Reasoning in Chemistry. 1. Introduction and General Strategy’. Tetrahedron Comput. Methodol. 1989, 2, 327–336.

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  2. Okada, T.; Kawai, T. ‘Analogical Reasoning in Chemistry. 2. DNET/MS System’. Tetrahedron Comput Methodol 1989, 2, 337–347.

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  3. Okada, T.; Kinoshita E. ‘Analogical Reasoning in Chemistry. 3. Estimation of Acidity’. To be published.

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  4. Basic Handbook of Chemistry, 3rd ed.; Chemical Society of Japan, Ed.; Maruzen: Tokyo, 1984; Vol. 2, p. 339.

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  6. Okada, T.; Wipke, W. T. ‘CLUSMOL: A System for the Conceptual Clustering of Molecules’. Tetrahedron Comput. Methodol.1989, 2, 249–264.

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Author information

Authors and Affiliations

  1. Information Processing Research Centre, Kwansei Gakuin University, Uegahara, Nishinomiya 662, Japan

    Takashi Okada

Authors
  1. Takashi Okada
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Editor information

Editors and Affiliations

  1. 6, Berwick Court Holmes Chapel, CW4 7HZ, Cheshire, UK

    Wendy A. Warr

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© 1993 Springer-Verlag Berlin Heidelberg

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Okada, T. (1993). Similarity and Analogy Based on Discrimination Net. In: Warr, W.A. (eds) Chemical Structures 2. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-78027-1_34

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  • DOI: https://doi.org/10.1007/978-3-642-78027-1_34

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-78029-5

  • Online ISBN: 978-3-642-78027-1

  • eBook Packages: Springer Book Archive

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