Chemical Data Mining Based on Structural Similarity
Author:
Affiliation:
1. Dept. of Knowledge-based Information Engineering, Toyohashi University of Technology
Publisher
Society of Computer Chemistry Japan
Subject
General Medicine
Link
https://www.jstage.jst.go.jp/article/jccj/2/4/2_4_119/_pdf
Reference12 articles.
1. [1] Johnson M. A., Maggiora G. M., Concepts and Applications of Molecular Similarity, Wiley, New York (1990).
2. [2] Carbo R., Molecular Similarity and Reactivity, Kluwer Academic Publishers, Boston (1995).
3. [3] Sussenguth, Jr. E. H., A Graph Theoretic Algorithm for Matching Chemical Structures, J. Chem. Doc., 5, 36-43 (1965).
4. [4] Cramer III, R.D., Redl G., Berkoff C.E., Substructural Analysis: Novel Approach to the Problem of Drug Design, J. Med. Chem., 17, 533 (1974).
5. [5] Adamson G.W., Bush J.A., Evaluation of an Empirical Structure- Activity Relationship for Property Prediction in a Structurally Diverse Group of Local Anaesthetics, J. Chem. Soc. Perkin Trans. I, 168-172 (1976).
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