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

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

Author information

1
Swiss Institute of Bioinformatics, CALIPHO Group, CMU, Rue Michel-Servet 1, 1211 Geneva 4, Switzerland. Electronic address: christine.chichester@isb-sib.ch.
2
University of Vienna, Department of Medicinal Chemistry, Pharmacoinformatics Research Group, Althanstrasse 14, 1090 Vienna, Austria.
3
VU University Amsterdam, De Boelelaan 1081a, 1081 HV Amsterdam, The Netherlands.
4
Connected Discovery Ltd, 27 Old Gloucester Street, London WC1N 3AX, UK.

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.

PMID:
25463038
DOI:
10.1016/j.drudis.2014.11.006
[Indexed for MEDLINE]
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