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

Kamal Azzaoui; Edgar Jacoby; Stefan Senger; Emiliano Cuadrado Rodríguez; Mabel Loza; Barbara Zdrazil; Marta Pinto; Antony J. Williams; Victor de la Torre; Jordi Mestres; Manuel Pastor; Olivier  Taboureau; Matthias Rarey; Christine Chichester; Steve Pettifer; Niklas Blomberg; Lee Harland; Bryn Williams-Jones; Gerhard F. Ecker

doi:10.1016/j.drudis.2013.05.008

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

Kamal Azzaoui, Edgar Jacoby, Stefan Senger, Emiliano Cuadrado Rodríguez, Mabel Loza, Barbara Zdrazil, Marta Pinto, Antony J. Williams, Victor de la Torre, Jordi Mestres, Manuel Pastor, Olivier Taboureau, Matthias Rarey, Christine Chichester, Steve Pettifer, Niklas Blomberg, Lee Harland, Bryn Williams-Jones, Gerhard F. Ecker

Research output: Contribution to journal › Journal article › Research › peer-review

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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.

Original language	English
Journal	Drug Discovery Today
Volume	18
Issue number	17-18
Pages (from-to)	843-852
ISSN	1359-6446
DOIs	https://doi.org/10.1016/j.drudis.2013.05.008
Publication status	Published - 2013

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Azzaoui, K., Jacoby, E., Senger, S., Rodríguez, E. C., Loza, M., Zdrazil, B., Pinto, M., Williams, A. J., de la Torre, V., Mestres, J., Pastor, M., Taboureau, O., Rarey, M., Chichester, C., Pettifer, S., Blomberg, N., Harland, L., Williams-Jones, B., & Ecker, G. F. (2013). Scientific competency questions as the basis for semantically enriched open pharmacological space development. Drug Discovery Today, 18(17-18), 843-852. https://doi.org/10.1016/j.drudis.2013.05.008

Azzaoui, Kamal ; Jacoby, Edgar ; Senger, Stefan ; Rodríguez, Emiliano Cuadrado ; Loza, Mabel ; Zdrazil, Barbara ; Pinto, Marta ; Williams, Antony J. ; de la Torre, Victor ; Mestres, Jordi ; Pastor, Manuel ; Taboureau, Olivier ; Rarey, Matthias ; Chichester, Christine ; Pettifer, Steve ; Blomberg, Niklas ; Harland, Lee ; Williams-Jones, Bryn ; Ecker, Gerhard F. / Scientific competency questions as the basis for semantically enriched open pharmacological space development. In: Drug Discovery Today. 2013 ; Vol. 18, No. 17-18. pp. 843-852.

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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.",

author = "Kamal Azzaoui and Edgar Jacoby and Stefan Senger and Rodr{\'i}guez, {Emiliano Cuadrado} and Mabel Loza and Barbara Zdrazil and Marta Pinto and Williams, {Antony J.} and {de la Torre}, Victor and Jordi Mestres and Manuel Pastor and Olivier Taboureau and Matthias Rarey and Christine Chichester and Steve Pettifer and Niklas Blomberg and Lee Harland and Bryn Williams-Jones and Ecker, {Gerhard F.}",

year = "2013",

doi = "10.1016/j.drudis.2013.05.008",

language = "English",

volume = "18",

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Azzaoui, K, Jacoby, E, Senger, S, Rodríguez, EC, Loza, M, Zdrazil, B, Pinto, M, Williams, AJ, de la Torre, V, Mestres, J, Pastor, M, Taboureau, O, Rarey, M, Chichester, C, Pettifer, S, Blomberg, N, Harland, L, Williams-Jones, B & Ecker, GF 2013, 'Scientific competency questions as the basis for semantically enriched open pharmacological space development', Drug Discovery Today, vol. 18, no. 17-18, pp. 843-852. https://doi.org/10.1016/j.drudis.2013.05.008

Scientific competency questions as the basis for semantically enriched open pharmacological space development. / Azzaoui, Kamal; Jacoby, Edgar; Senger, Stefan; Rodríguez, Emiliano Cuadrado; Loza, Mabel; Zdrazil, Barbara; Pinto, Marta; Williams, Antony J.; de la Torre, Victor; Mestres, Jordi; Pastor, Manuel; Taboureau, Olivier ; Rarey, Matthias; Chichester, Christine; Pettifer, Steve; Blomberg, Niklas; Harland, Lee; Williams-Jones, Bryn; Ecker, Gerhard F.

In: Drug Discovery Today, Vol. 18, No. 17-18, 2013, p. 843-852.

Research output: Contribution to journal › Journal article › Research › peer-review

TY - JOUR

T1 - Scientific competency questions as the basis for semantically enriched open pharmacological space development

AU - Azzaoui, Kamal

AU - Jacoby, Edgar

AU - Senger, Stefan

AU - Rodríguez, Emiliano Cuadrado

AU - Loza, Mabel

AU - Zdrazil, Barbara

AU - Pinto, Marta

AU - Williams, Antony J.

AU - de la Torre, Victor

AU - Mestres, Jordi

AU - Pastor, Manuel

AU - Taboureau, Olivier

AU - Rarey, Matthias

AU - Chichester, Christine

AU - Pettifer, Steve

AU - Blomberg, Niklas

AU - Harland, Lee

AU - Williams-Jones, Bryn

AU - Ecker, Gerhard F.

PY - 2013

Y1 - 2013

N2 - 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.

AB - 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.

U2 - 10.1016/j.drudis.2013.05.008

DO - 10.1016/j.drudis.2013.05.008

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VL - 18

SP - 843

EP - 852

JO - Drug Discovery Today

JF - Drug Discovery Today

SN - 1359-6446

IS - 17-18

ER -