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.
authors.affiliation: Swiss Institute of Bioinformatics, CALIPHO Group, CMU, Rue Michel-Servet 1, 1211 Geneva 4, Switzerland. Electronic address: christine.chichester@isb-sib.ch.
authors.forename: Christine
authors.initials: C
authors.lastname: Chichester
authors.affiliation: University of Vienna, Department of Medicinal Chemistry, Pharmacoinformatics Research Group, Althanstrasse 14, 1090 Vienna, Austria.
authors.forename: Daniela
authors.initials: D
authors.lastname: Digles
authors.affiliation: VU University Amsterdam, De Boelelaan 1081a, 1081 HV Amsterdam, The Netherlands.
authors.forename: Ronald
authors.initials: R
authors.lastname: Siebes
authors.affiliation: VU University Amsterdam, De Boelelaan 1081a, 1081 HV Amsterdam, The Netherlands.
authors.forename: Antonis
authors.initials: A
authors.lastname: Loizou
authors.affiliation: VU University Amsterdam, De Boelelaan 1081a, 1081 HV Amsterdam, The Netherlands.
authors.forename: Paul
authors.initials: P
authors.lastname: Groth
authors.affiliation: Connected Discovery Ltd, 27 Old Gloucester Street, London WC1N 3AX, UK.
authors.forename: Lee
authors.initials: L
authors.lastname: Harland
mesh_terms: D022126:Access to Information; D019295:Computational Biology; D057225:Data Mining; D062126:Databases, Chemical; D062313:Databases, Pharmaceutical; D003661:Decision Support Techniques; D055808:Drug Discovery / Q000379:methods*; D006801:Humans; D015394:Molecular Structure; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D015398:Signal Transduction / Q000187:drug effects; D013329:Structure-Activity Relationship; D018511:Systems Integration; D057188:Workflow
chemical_list: D004364:Pharmaceutical Preparations