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Three-Dimensional Chemical Similarity Searching (Computers and Chemical Structure Information) - Softcover
Shows how computer searches for similar molecular structures can be expanded to three-dimensions by combining two recent developments in database design and access to allow browsing and navigation, and the construction of databases of information relevant to the problem at hand. A report of initial findings to be developed by industrial and academic researchers in computational chemistry. Double spaced. Annotation copyright Book News, Inc. Portland, Or.
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The main thrust here is to create a methodology capable of 3-D similarity searching on reasonably large sets of diverse chemical structures. Compares four potential 3-D similarity techniques which vary in complexity and precision. Discusses the development and optimization of one method--the Atom Mapping method--including the introduction of a variety of chemical information types. Qualitative and quantitative measures of the Atom Mapping method are evaluated and potential uses proposed.
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- PublisherJohn Wiley & Sons Inc
- Publication date1994
- ISBN 10 0471942383
- ISBN 13 9780471942382
- BindingPaperback
- Number of pages320
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Three-Dimensional Chemical Similarity Searching
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John Wiley & Sons Inc
(1994)
ISBN 10: 0471942383
ISBN 13: 9780471942382
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Hardcover
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Book Description Condition: Good. This is an ex-library book and may have the usual library/used-book markings inside.This book has hardback covers. Clean from markings. In good all round condition. Please note the Image in this listing is a stock photo and may not match the covers of the actual item,750grams, ISBN:0471942383. Seller Inventory # 9725401
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