Drug discovery for breast cancer based on big data analytics techniques

Rostom Mennour, M. Batouche
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引用次数: 10

Abstract

Scientific research are nowadays faced to very massive data processing, which consume relatively too much time and effort, that's why researchers have turned to high performance computational (HPC) techniques. In the same context, research on drug discovery has reached a place where it has no choice but using HPC and Big Data Processing Systems to accomplish its objectives in reasonable periods of time, Virtual Screening (VS) is considered as one of the most computationally intensive and heavy process, it plays an important role in designing new drugs and has to be done as fast as possible in order to effectively dock ligands in huge databases to a given protein receptor. On the other hand, breast cancer is one of the most dangerous diseases of world, in the last decade; more than 1.5 million new cases are diagnosed each year, with more than 400 thousands deaths. These statistics give very great importance to drug research for this disease. In this context, and in order to ameliorate the drug designing process for breast cancer, we propose in this work, to use Machine Learning Algorithms that are designed for Big Data analysis on top of MapReduce and Mahout in order to pre-filter the huge set of ligands to effectively do virtual screening for the breast cancer protein receptor.
基于大数据分析技术的乳腺癌药物发现
当前的科学研究面临着海量数据的处理,耗费了大量的时间和精力,这就是高性能计算(HPC)技术的应用。在相同的背景下,研究药物发现已经到了一个地方,它别无选择使用HPC和大数据处理系统来实现其目标的合理时间,虚拟筛选(VS)被认为是一个最计算密集型和重型的过程,它在新药设计起着重要的作用,必须尽快完成为了有效码头给定蛋白质受体配体在巨大的数据库。另一方面,在过去十年中,乳腺癌是世界上最危险的疾病之一;每年有150多万新病例被诊断出来,其中40多万人死亡。这些统计数据对该病的药物研究具有重要意义。在此背景下,为了改善乳腺癌药物设计过程,我们在这项工作中提出,在MapReduce和Mahout之上使用为大数据分析而设计的机器学习算法,以预过滤大量配体,有效地对乳腺癌蛋白受体进行虚拟筛选。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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