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药物发现常见问题解答:用于回答多领域药物发现问题的工作流程。

Drug discovery FAQs: workflows for answering multidomain drug discovery questions.

作者信息

Chichester Christine, Digles Daniela, Siebes Ronald, Loizou Antonis, Groth Paul, Harland Lee

机构信息

Swiss Institute of Bioinformatics, CALIPHO Group, CMU, Rue Michel-Servet 1, 1211 Geneva 4, Switzerland.

University of Vienna, Department of Medicinal Chemistry, Pharmacoinformatics Research Group, Althanstrasse 14, 1090 Vienna, Austria.

出版信息

Drug Discov Today. 2015 Apr;20(4):399-405. doi: 10.1016/j.drudis.2014.11.006. Epub 2014 Nov 20.

Abstract

Modern data-driven drug discovery requires integrated resources to support decision-making and enable new discoveries. The Open PHACTS Discovery Platform (http://dev.openphacts.org) was built to address this requirement by focusing on drug discovery questions that are of high priority to the pharmaceutical industry. Although complex, most of these frequently asked questions (FAQs) revolve around the combination of data concerning compounds, targets, pathways and diseases. Computational drug discovery using workflow tools and the integrated resources of Open PHACTS can deliver answers to most of these questions. Here, we report on a selection of workflows used for solving these use cases and discuss some of the research challenges. The workflows are accessible online from myExperiment (http://www.myexperiment.org) and are available for reuse by the scientific community.

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