Scientific Computing, Chemistry - General & Miscellaneous, Databases - General & Miscellaneous
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Overview
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.Editorials
Booknews
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 c. Book News, Inc., Portland, OR (booknews.com)Book Details
Published
May 1, 1994
Publisher
Wiley, John & Sons, Incorporated
Pages
320
Format
Hardcover
ISBN
9780471942382