| 新一代分布式计算技术在药物筛选中的应用 |
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| 引用本文： | 梁婷,焦强,陆涛. 新一代分布式计算技术在药物筛选中的应用[J]. 药学进展, 2011, 35(4): 162-168. DOI: 10.3969/j.issn.1001-5094.2011.04.003 |
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| 作者姓名： | 梁婷 焦强 陆涛 |
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| 作者单位： | 1. 中国药科大学信息管理与信息系统教研室,江苏,南京,211198
2. 中国药科大学有机化学教研室,江苏,南京,211198 |
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| 摘 要： | 概述现代药物筛选方法和新一代分布式计算技术，重点介绍云计算和网格计算技术在药物筛选中的应用，并讨论这些技术在应用过程中存在的问题。药物筛选旨在从大量化合物中发现有活性的化合物，是发现先导化合物和新药的重要途径。药物筛选中数据管理和分析结果为新药研发中先导化合物的发现提供了重要依据。利用新一代分布式计算技术管理和分析实验数据可大大提高效率，降低研发成本、缩短研发周期。
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| 关 键 词： | 药物筛选 分布式计算 虚拟筛选 高通量筛选 高内涵筛选 网格计算 云计算 |
The Application of a New Generation of Distributed Computing Technique in the Drug Screening |
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| LIANG Ting,JIAO Qiang,LU Tao. The Application of a New Generation of Distributed Computing Technique in the Drug Screening[J]. Progress in Pharmaceutical Sciences, 2011, 35(4): 162-168. DOI: 10.3969/j.issn.1001-5094.2011.04.003 |
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| Authors: | LIANG Ting JIAO Qiang LU Tao |
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| Affiliation: | LIANG Ting1,JIAO Qiang1,LU Tao2(1.Department of Information Management and Information System,China Pharmaceutical University,Nanjing 211198,China,2.Department of Organic Chemistry,China) |
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| Abstract: | The modern drug screening methods and the new generation of distributed computing technique were described,the application of cloud computing and grid computing techniques in drug screening were introduced,and the problems of these techniques existing in the applications were also discussed.Drug screening,which plays an important role in discovering new drug and leading compounds,aims to search for active compounds among vast number of compounds.Data management and analysis results of drug screening provide... |
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| Keywords: | drug screening distributed computing virtual screening high-throughput screening high content screening grid computing cloud computing |
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