High-performance GRID computing in chemoinformatics

Sim, N., Konovalov, D., and Coomans, D. (2009) High-performance GRID computing in chemoinformatics. In: Brown, Steven, Tauler, Roma, and Walczak, Beata, (eds.) Comprehensive Chemometrics: chemical and biochemical data analysis. Elsevier, Oxford, UK, pp. 507-539.

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Abstract

The field of Grid computing provides access to a scalable pool of computing resources and promises to unlock many chemometric problems that were previously computationally prohibitive. This chapter describes many of the details and concepts behind the Grid paradigm, and presents a number of chemometric investigations that have adopted the Grid to address their computational and data access needs.

Item ID: 11530
Item Type: Book Chapter (Reference)
Keywords: commodity computing; data grid; grid computing; high-performance computing; high-throughput computing; mass spectra; Monte Carlo cross-validation; parameter sweep; QSAR; virtual organization
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ISBN: 978-0-444-52702-8
Date Deposited: 07 Jun 2010 23:50
FoR Codes: 03 CHEMICAL SCIENCES > 0307 Theoretical and Computational Chemistry > 030799 Theoretical and Computational Chemistry not elsewhere classified @ 100%
SEO Codes: 86 MANUFACTURING > 8608 Human Pharmaceutical Products > 860899 Human Pharmaceutical Products not elsewhere classified @ 100%
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