Recent Advances in Chemoinformatics

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• 作者：Dimitris K. Agrafiotis ; Deepak Bandyopadhyay ; Jö ; rg K. Wegner ; Herman van Vlijmen
• 刊名：Journal of Chemical Information and Modeling
• 出版年：2007
• 出版时间：July 2007
• 年：2007
• 卷：47
• 期：4
• 页码：1279 - 1293
• 全文大小：124K
• 年卷期：v.47,no.4(July 2007)
• ISSN：1549-960X

文摘

Chemoinformatics is a large scientific discipline that deals with the storage, organization, management,retrieval, analysis, dissemination, visualization, and use of chemical information. Chemoinformatics techniquesare used extensively in drug discovery and development. Although many consider it a mature field, theadvent of high-throughput experimental techniques and the need to analyze very large data sets have broughtnew life and challenges to it. Here, we review a selection of papers published in 2006 that caught ourattention with regard to the novelty of the methodology that was presented. The field is seeing significantgrowth, which will be further catalyzed by the widespread availability of public databases to support thedevelopment and validation of new approaches.