Drug discovery FAQs: workflows for answering multidomain drug discovery questions

被引:15
|
作者
Chichester, Christine [1 ]
Digles, Daniela [2 ]
Siebes, Ronald [3 ]
Loizou, Antonis [3 ]
Groth, Paul [3 ]
Harland, Lee [4 ]
机构
[1] Swiss Inst Bioinformat, CALIPHO Grp, CMU, CH-1211 Geneva, Switzerland
[2] Univ Vienna, Dept Med Chem, Pharmacoinformat Res Grp, A-1090 Vienna, Austria
[3] Vrije Univ Amsterdam, NL-1081 HV Amsterdam, Netherlands
[4] Connected Discovery Ltd, London WC1N 3AX, England
关键词
KNIME;
D O I
10.1016/j.drudis.2014.11.006
中图分类号
R9 [药学];
学科分类号
1007 ;
摘要
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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页码:399 / 405
页数:7
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