Drug discovery FAQs: workflows for answering multidomain drug discovery questions

C. Chichester; D. Digles; R.M. Siebes; A. Loizou; P.T. Groth; L Harland

doi:10.1016/j.drudis.2014.11.006

Drug discovery FAQs: workflows for answering multidomain drug discovery questions

C. Chichester, D. Digles, R.M. Siebes, A. Loizou, P.T. Groth, L Harland

Research output: Contribution to Journal › Article › Academic › peer-review

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.

Original language	English
Journal	Drug Discovery Today
DOIs	https://doi.org/10.1016/j.drudis.2014.11.006
Publication status	Published - 2014

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title = "Drug discovery FAQs: workflows for answering multidomain drug discovery questions",

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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AU - Siebes, R.M.

AU - Loizou, A.

AU - Groth, P.T.

AU - Harland, L

PY - 2014

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AB - 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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M3 - Article

SN - 1359-6446

JO - Drug Discovery Today

JF - Drug Discovery Today

ER -

Drug discovery FAQs: workflows for answering multidomain drug discovery questions

Abstract

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