Scientific competency questions as the basis for semantically enriched open pharmacological space development

Authors/others:Azzaoui, Kamal (Novartis Pharma AG); Jacoby, Edgar (Janssen Research and Development); Senger, Stefan (Medicines Research Centre); Rodríguez, Emiliano Cuadrado (Universidade de Santiago de Compostela (USC)); Loza, Mabel (Universidade de Santiago de Compostela (USC)); Zdrazil, Barbara; Pinto, Marta; Williams, Antony J (Royal Society of Chemistry, 904 Tamaras Circle, Wake Forest); de la Torre, Victor (Spanish National Cancer Research Centre); Mestres, Jordi (University Pompeu Fabra); Pastor, Manuel (University Pompeu Fabra); Taboureau, Olivier (Technical University of Denmark (DTU)); Rarey, Matthias (Universität Hamburg); Chichester, Christine (Swiss Institute of Bioinformatics); Pettifer, Steve (University of Manchester); Blomberg, Niklas (AstraZeneca); Harland, Lee (Connected Discovery Ltd); Williams-Jones, Bryn (Connected Discovery Ltd); Ecker, Gerhard F
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.
Number of pages:10
Date of publication:9.2013
Journal title:Drug Discovery Today
Peer reviewed:true
Digital Object Identifier (DOI):
Bibliographical note:Copyright © 2013 Elsevier Ltd. All rights reserved.
Publication Type:Article