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Can I read Techniques for the Calculation of Three-dimensional Structural Similarity Using Inter-atomic Distances on EtoBox?
Techniques for the Calculation of Three-dimensional Structural Similarity Using Inter-atomic Distances by Catherine A. Pepperrell; Peter Willett is a Biochemistry, Genetics and Molecular Biology article available to read on EtoBox.
What is Techniques for the Calculation of Three-dimensional Structural Similarity Using Inter-atomic Distances about?
This paper reports a comparison of several methods for measuring the degree of similarity between pairs of 3-D chemical structures that are represented by inter-atomic distance matrices. The methods that have been tested use the distance information in very different ways and have very different computational requirements. Experiments with 10 small datasets, for which both structural and biological activity data are available, suggest that the most cost-effective technique is based on a mapping procedure that tries to match pairs of atoms, one from each of the molecules that are being compared, that have neighbouring atoms at approximately the same distances.
Who reads Techniques for the Calculation of Three-dimensional Structural Similarity Using Inter-atomic Distances?
It is typically read by researchers, students, and practitioners in Biochemistry, Genetics and Molecular Biology.
- Author
- Catherine A. Pepperrell; Peter Willett
- Publisher
- Springer Netherlands; Springer-Verlag; Kluwer Academic Publishers; Springer Science and Business Media LLC (ISSN 0920-654X)
- Published
- 1991
- Language
- EN
- Field
- Biochemistry, Genetics and Molecular Biology (Physical Sciences)