1. Scientific competency questions as the basis for semantically enriched open pharmacological space development
- Author
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Emiliano Cuadrado Rodríguez, Gerhard F. Ecker, Christine Chichester, Manuel Pastor, Niklas Blomberg, Barbara Zdrazil, Lee Harland, Jordi Mestres, Olivier Taboureau, Antony J. Williams, Matthias Rarey, Steve Pettifer, Edgar Jacoby, Marta Pinto, Bryn Williams-Jones, Stefan Senger, Mabel Loza, Kamal Azzaoui, and Victor De La Torre
- Subjects
Medicaments -- Desenvolupament ,Knowledge management ,Computer science ,Databases, Pharmaceutical ,Knowledge Bases ,MEDLINE ,Inference ,Guidelines as Topic ,Space (commercial competition) ,Semantics ,Structure-Activity Relationship ,Development (topology) ,Farmàcia -- Investigació ,Drug Discovery ,Information system ,Data Mining ,Semantic Web ,Pharmacology ,Molecular Structure ,business.industry ,Systems Integration ,System integration ,Mineria de dades ,business ,Databases, Chemical ,Information Systems - Abstract
Molecular information systems play an important part in modern data-driven drug discovery. They do not only support decision making but also enable new discoveries via association and inference. In this review, we outline the scientific requirements identified by the Innovative Medicines Initiative (IMI) Open PHACTS consortium for the design of an open pharmacological space (OPS) information system. The focus of this work is the integration of compound-target-pathway-disease/phenotype data for public and industrial drug discovery research. Typical scientific competency questions provided by the consortium members will be analyzed based on the underlying data concepts and associations needed to answer the questions. Publicly available data sources used to target these questions as well as the need for and potential of semantic web-based technology will be presented. The research leading to these results has received support from the Innovative Medicines Initiative Joint Undertaking under grant agreement no. [115191], resources of which are composed of financial contribution from the European Union’s Seventh Framework Programme (FP7/2007-2013) and inkind contribution of EFPIA companies.
- Published
- 2013
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