Recent advances in chemoinformatics

被引:50
作者
Agrafiotis, Dimitris K.
Bandyopadhyay, Deepak
Wegner, Jorg K.
van Vlijmen, Herman
机构
[1] Johnson & Johnson Pharmaceut Res & Dev LLC, Exton, PA 19341 USA
[2] Tibotec BVBA, B-2800 Mechelen, Belgium
关键词
D O I
10.1021/ci700059g
中图分类号
R914 [药物化学];
学科分类号
100701 ;
摘要
Chemoinformatics is a large scientific discipline that deals with the storage, organization, management, retrieval, analysis, dissemination, visualization, and use of chemical information. Chemoinformatics techniques are used extensively in drug discovery and development. Although many consider it a mature field, the advent of high-throughput experimental techniques and the need to analyze very large data sets have brought new life and challenges to it. Here, we review a selection of papers published in 2006 that caught our attention with regard to the novelty of the methodology that was presented. The field is seeing significant growth, which will be further catalyzed by the widespread availability of public databases to support the development and validation of new approaches.
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收藏
页码:1279 / 1293
页数:15
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