Journal article
Determination of structural similarity by quantitative comparisons of Wiswesser Line Notation entries
Journal of chemical information and computer sciences, Vol.30(1), pp.73-80
02/01/1990
DOI: 10.1021/ci00065a017
Abstract
A means for computing a quantitative measure of similarity between structures encoded in the Wiswesser line notation (WLN) is presented. The WLN string for each compound being compared is first converted to a generalized form. This form consists of three separate strings for each compound and is designed to be more amenable to a character-by-character comparison of two strings. A similarity score is computed on the basis of the best matching of the largest substrings common to both structures. The comparison algorithm is evaluated through the use of five sets of example structures. © 1990, American Chemical Society. All rights reserved.
Details
- Title: Subtitle
- Determination of structural similarity by quantitative comparisons of Wiswesser Line Notation entries
- Creators
- Thomas F KaltenbachGary W Small
- Resource Type
- Journal article
- Publication Details
- Journal of chemical information and computer sciences, Vol.30(1), pp.73-80
- Publisher
- American Chemical Society
- DOI
- 10.1021/ci00065a017
- ISSN
- 0095-2338
- eISSN
- 1520-5142
- Language
- English
- Date published
- 02/01/1990
- Academic Unit
- Chemistry
- Record Identifier
- 9984216584702771
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