Ontologies in Medicinal Chemistry: current status and future challenges

Gómez-Pérez, A. and Martínez Romero, Marcos and Rodríguez González, Alejandro and Vázquez, Guillermo (2013). Ontologies in Medicinal Chemistry: current status and future challenges. "Current Topics in Medicinal Chemistry", v. 13 (n. 5); pp. 576-590. ISSN 1873-4294. https://doi.org/10.2174/1568026611313050003.

Description

Title: Ontologies in Medicinal Chemistry: current status and future challenges
Author/s:
  • Gómez-Pérez, A.
  • Martínez Romero, Marcos
  • Rodríguez González, Alejandro
  • Vázquez, Guillermo
Item Type: Article
Título de Revista/Publicación: Current Topics in Medicinal Chemistry
Date: 2013
ISSN: 1873-4294
Volume: 13
Subjects:
Freetext Keywords: Drug design, Drug discovery, Medicinal chemistry, Ontologies, Semantic Web
Faculty: E.T.S. de Ingenieros Informáticos (UPM)
Department: Inteligencia Artificial
Creative Commons Licenses: Recognition - No derivative works - Non commercial

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Abstract

Recent years have seen a dramatic increase in the amount and availability of data in the diverse areas of medicinal chemistry, making it possible to achieve significant advances in fields such as the design, synthesis and biological evaluation of compounds. However, with this data explosion, the storage, management and analysis of available data to extract relevant information has become even a more complex task that offers challenging research issues to Artificial Intelligence (AI) scientists. Ontologies have emerged in AI as a key tool to formally represent and semantically organize aspects of the real world. Beyond glossaries or thesauri, ontologies facilitate communication between experts and allow the application of computational techniques to extract useful information from available data. In medicinal chemistry, multiple ontologies have been developed during the last years which contain knowledge about chemical compounds and processes of synthesis of pharmaceutical products. This article reviews the principal standards and ontologies in medicinal chemistry, analyzes their main applications and suggests future directions.

More information

Item ID: 72422
DC Identifier: https://oa.upm.es/72422/
OAI Identifier: oai:oa.upm.es:72422
DOI: 10.2174/1568026611313050003
Official URL: https://www.0.2174/1568026611313050003eurekaselect.com/article/50811
Deposited by: Biblioteca Facultad de Informatica
Deposited on: 20 Jan 2023 12:48
Last Modified: 20 Jan 2023 12:48
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