Review10 of Handbook of Chemoinformatics Algorithms Edited by Faulon, Bender, eds. CRC Press, 2010 440 pages, hardcover Review by Aaron Sterling (sterling@iastate.edu) Department of Computer Science, Iowa State University (visiting EECS Department, Northwestern University) Introduction This book is written by chemists, for chemists, with the objective of producing an overview of some of the most common chemoinformatics algorithms in a single place. A rst attempt at a de nition of chemoinformatics might be, Algorithms, databases and code to help chemists. Unlike the eld of Bioinformatics, which enjoys a rich academic literature going back many years, the Handbook of Chemoinformatics Algorithms (HCA) is the rst book of its kind. The editors (Faulon and Bender) commissioned authors to produce chapters on topics like computer-aided molecular design, open-source chemoinformatics software, and how to store chemical structures and properties in databases. Most of the algorithms presented, from the point of view of a theoretical computer scientist, are folklore or trivial ; however, the application of these algorithms is complex, the problems computational chemists face are hard and not always well de ned mathematically, and hundreds of millions of dollars ride on the speed and usefulness of practical implementations of
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Review of handbook of chemoinformatics algorithms by Faulon
Sterling, Aaron
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, Volume 42 (4)
Association for Computing Machinery – Dec 13, 2011
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