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

被引：26

作者：

Azzaoui, Kamal ^{[1
]}

Jacoby, Edgar ^{[15
]}

Senger, Stefan ^{[2
]}

Cuadrado Rodriguez, Emiliano ^{[3
]}

Loza, Mabel ^{[3
]}

Zdrazil, Barbara ^{[4
]}

Pinto, Marta ^{[4
]}

Williams, Antony J. ^{[5
]}

de la Torre, Victor ^{[6
]}

Mestres, Jordi ^{[7
,8
]}

Pastor, Manuel ^{[7
,8
]}

Taboureau, Olivier ^{[9
]}

Rarey, Matthias ^{[10
]}

Chichester, Christine ^{[11
]}

Pettifer, Steve ^{[12
]}

Blomberg, Niklas ^{[13
]}

Harland, Lee ^{[14
]}

Williams-Jones, Bryn ^{[14
]}

Ecker, Gerhard F. ^{[4
]}

机构：

[1] Novartis Pharma AG, Novartis Inst BioMed Res, CH-4056 Basel, Switzerland

[2] GlaxoSmithKline, Med Res Ctr, Stevenage SG1 2NY, Herts, England

[3] Fac Farm, Dept Farmacol, Grp BioFarma USEF, Santiago De Compostela 15782, Spain

[4] Univ Vienna, Dept Med Chem, Pharmacoinformat Res Grp, A-1090 Vienna, Austria

[5] Royal Soc Chem, Wake Forest, NC 27587 USA

[6] Spanish Natl Canc Res Ctr CNIO, Struct Computat Biol & Natl Bioinformat Inst Unit, Struct Biol & Biocomp Programme, E-28029 Madrid, Spain

[7] IMIM Hosp del Mar Res Inst, Chemogenom Lab, Res Programme Biomed Informat, Barcelona 08003, Catalonia, Spain

[8] Univ Pompeu Fabra, Barcelona 08003, Catalonia, Spain

[9] Tech Univ Denmark, Dept Syst Biol, DK-2800 Lyngby, Denmark

[10] Univ Hamburg, Ctr Bioinformat, D-20146 Hamburg, Germany

[11] Swiss Inst Bioinformat, CALIPHO Grp, CH-1211 Geneva 4, Switzerland

[12] Univ Manchester, Sch Comp Sci, Manchester M13 9PL, Lancs, England

[13] AstraZeneca R&D, SE-43183 Molndal, Sweden

[14] Connected Discovery Ltd, London WC1N 3AX, England

[15] Janssen Res & Dev, B-2340 Beerse, Belgium

来源：

DRUG DISCOVERY TODAY | 2013年 / 18卷 / 17-18期

关键词：

DRUG; CHEMISTRY; KNOWLEDGE; DATABASES; NETWORK; QUALITY; PATENTS; TOOL;

D O I：

10.1016/j.drudis.2013.05.008

中图分类号：

R9 [药学];

学科分类号：

1007 ;

摘要：

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.

引用

页码：843 / 852

页数：10

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