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Open source drug discovery – A limited tutorial

Published online by Cambridge University Press:  28 August 2013

MURRAY N. ROBERTSON
Affiliation:
School of Chemistry, The University of Sydney, Sydney, NSW 2006, Australia
PAUL M. YLIOJA
Affiliation:
School of Chemistry, The University of Sydney, Sydney, NSW 2006, Australia
ALICE E. WILLIAMSON
Affiliation:
School of Chemistry, The University of Sydney, Sydney, NSW 2006, Australia
MICHAEL WOELFLE
Affiliation:
School of Chemistry, The University of Sydney, Sydney, NSW 2006, Australia
MICHAEL ROBINS
Affiliation:
School of Chemistry, The University of Sydney, Sydney, NSW 2006, Australia
KATRINA A. BADIOLA
Affiliation:
School of Chemistry, The University of Sydney, Sydney, NSW 2006, Australia
PAUL WILLIS
Affiliation:
Medicines for Malaria Venture, PO Box 1826, 20 rte de Pré-Bois, 1215 Geneva 15, Switzerland
PIERO OLLIARO
Affiliation:
UNICEF/UNDP/World Bank/WHO Special Programme for Research and Training in Tropical Diseases (TDR), World Health Organization, Avenue Appia 20, 1211 Geneva 27, Switzerland
TIMOTHY N. C. WELLS
Affiliation:
Medicines for Malaria Venture, PO Box 1826, 20 rte de Pré-Bois, 1215 Geneva 15, Switzerland
MATTHEW H. TODD*
Affiliation:
School of Chemistry, The University of Sydney, Sydney, NSW 2006, Australia
*
*Corresponding author: School of Chemistry, University of Sydney, NSW 2006, Australia. Tel: +61 2 9351 2180. Fax: +61 2 9351 3329. E-mail: matthew.todd@sydney.edu.au
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Summary

Open science is a new concept for the practice of experimental laboratory-based research, such as drug discovery. The authors have recently gained experience in how to run such projects and here describe some straightforward steps others may wish to take towards more openness in their own research programmes. Existing and inexpensive online tools can solve many challenges, while some psychological barriers to the free sharing of all data and ideas are more substantial.

Information

Type
Research Article
Creative Commons
Creative Common License - CCCreative Common License - BY
The online version of this article is published within an Open Access environment subject to the conditions of the Creative Commons Attribution licence .
Copyright
Copyright © Cambridge University Press 2013
Figure 0

Fig. 1. A sample page from an electronic lab notebook created with the open source software, Labtrove.

Figure 1

Fig. 2. Management of updatable data files using existing software designed for managing coding projects.

Figure 2

Fig. 3. Deposition of data in openly-available online databases enhances discoverability.

Figure 3

Fig. 4. The Synaptic Leap, a coordination site allowing project discussion and updates.

Figure 4

Fig. 5. A project wiki can act as a project status page.

Figure 5

Fig. 6. Example Google+ post in the open source drug discovery for malaria project.