Drug discovery FAQs

Subtitle:Workflows for answering multidomain drug discovery questions
Authors/others:Chichester, Christine (Swiss Institute of Bioinformatics); Digles, Daniela; Siebes, Ronald (Vrije Universiteit Amsterdam); Loizou, Antonis (Vrije Universiteit Amsterdam); Groth, Paul (Vrije Universiteit Amsterdam); Harland, Lee (Connected Discovery Ltd)

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.

Number of pages:7
Date of publication:1.4.2015
Journal title:Drug Discovery Today
Peer reviewed:true
Digital Object Identifier (DOI):http://dx.doi.org/10.1016/j.drudis.2014.11.006
Publication Type:Article