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Algorithms for chemoinformatics

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Publication Date
2011-09
ICR Author
Brown, Nathan
Author
Brown, N
Type
Journal Article
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Abstract
The field of chemoinformatics makes use of a great number of different computational algorithms from mathematics and computer science as well as algorithms that are defined explicitly for challenges specific to chemoinformatics. This article provides an overview of algorithms and algorithmic complexity together with a review of common algorithmic design paradigms. These approaches are then given context with a set of relevant examples from chemoinformatics with definitions of the algorithms and, where relevant, graphical explanations. (C) 2011 John Wiley & Sons, Ltd. WIREs Comput Mol Sci 2011 1 716-726 DOI: 10.1002/wcms.42
URL
https://repository.icr.ac.uk/handle/internal/1950
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  • Cancer Therapeutics
Version of record
10.1002/wcms.42
Subject
GENETIC ALGORITHM
COMPRESSION
SIMILARITY
Research team
Medicinal Chemistry 1 (including Analytical Chemistry)
Language
EN
License start date
2011-09
Citation
WIRES COMPUT MOL SCI, 2011, 1 (5), pp. 716 - 726
Publisher
WILEY PERIODICALS, INC

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