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基于Hadoop的化合物生物活性分析系统

李杰辉 张亮 陈健 南蓬

计算机工程2012,Vol.38Issue(13):48-50,3.
计算机工程2012,Vol.38Issue(13):48-50,3.DOI:10.3969/j.issn.1000-3428.2012.13.013

基于Hadoop的化合物生物活性分析系统

Compounds Biological Active Analysis System Based on Hadoop

李杰辉 1张亮 1陈健 2南蓬2

作者信息

  • 1. 复旦大学计算机科学技术学院,上海200433
  • 2. 复旦大学生命科学学院,上海200433
  • 折叠

摘要

Abstract

The prediction of biological active compounds, which requires heavy computation in practice, is more and more important in drug discovery and chemical genornics. This paper proposes a Hadoop-based parallelized method for searching and predicting drug-like compounds combining MapReduce model, and the method is realized through Hadoop tool. According to the problems of the inhomogeneity of Hadoop partition algorithm, and computation of fault-tolerant function, the method is improved. Experimental results show that the method provides an effective, scalable and simple way to solve the heavy computation problem, and its average accelerated efficiency achieves 0.91.

关键词

生物活性/生物信息学/并行计算/可扩展性/数据库/Hadoop框架

Key words

biological activity/ bioinformatics/ parallel computing/ scalability/ database/ Hadoop frame

分类

信息技术与安全科学

引用本文复制引用

李杰辉,张亮,陈健,南蓬..基于Hadoop的化合物生物活性分析系统[J].计算机工程,2012,38(13):48-50,3.

基金项目

国家“863”计划基金资助项目(2009AA02Z308) (2009AA02Z308)

计算机工程

OACSCDCSTPCD

1000-3428

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