Similarity and clustering in chemical information systems
by Peter Willett
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Description
This book describes the latest developments in computational techniques which increase the effectiveness of the storage, retrieval, and processing of information in computerized chemical information systems. Covers the specifics of searching and clustering methods based upon the calculation of measures of similarity between chemical structures in machine-readable files. These techniques are used not only to enhance information retrieval, but also as a component of drug development programs. show more Chapters cover the representation of chemical structures searching files, quantitative structure-activity relationships, similarity and cluster analysis, similarity in chemical information systems, clustering in chemical information systems, and nearest neighbor searching algorithms. show lessTags
Author Information
3 Works 39 Members
Classifications
- Genres
- Nonfiction, Science & Nature
- DDC/MDS
- 025.065412 — Computer science, information & general works Library & information sciences Administration; Departments Internet and Information Resources By Subject Mathematics And Science
- LCC
- QD471 .W578 — Science Chemistry Chemistry Physical and theoretical chemistry
Statistics
- Members
- 1
- Popularity
- 8,832,866
- Languages
- English
- Media
- Paper
- ISBNs
- 2
