The impact of computer science in molecular medicine: Enabling high-throughput research

Diana de la Iglesia, Miguel García-Remesal, Guillermo de la Calle, Casimir Kulikowski, Ferran Sanz, Víctor Maojo

Research output: Contribution to journalReview articlepeer-review

9 Scopus citations


The Human Genome Project and the explosion of high-throughput data have transformed the areas of molecular and personalized medicine, which are producing a wide range of studies and experimental results and providing new insights for developing medical applications. Research in many interdisciplinary fields is resulting in data repositories and computational tools that support a wide diversity of tasks: genome sequencing, genome-wide association studies, analysis of genotype-phenotype interactions, drug toxicity and side effects assessment, prediction of protein interactions and diseases, development of computational models, biomarker discovery, and many others. The authors of the present paper have developed several inventories covering tools, initiatives and studies in different computational fields related to molecular medicine: medical informatics, bioinformatics, clinical informatics and nanoinformatics. With these inventories, created by mining the scientific literature, we have carried out several reviews of these fields, providing researchers with a useful framework to locate, discover, search and integrate resources. In this paper we present an analysis of the state-of-the-art as it relates to computational resources for molecular medicine, based on results compiled in our inventories, as well as results extracted from a systematic review of the literature and other scientific media. The present review is based on the impact of their related publications and the available data and software resources for molecular medicine. It aims to provide information that can be useful to support ongoing research and work to improve diagnostics and therapeutics based on molecular-level insights.

Original languageEnglish (US)
Pages (from-to)526-575
Number of pages50
JournalCurrent topics in medicinal chemistry
Issue number5
StatePublished - 2013

All Science Journal Classification (ASJC) codes

  • Drug Discovery


  • Biomedical informatics
  • Computational resources
  • Data sources
  • Genotype-phenotype
  • Medicinal chemistry
  • Molecular medicine
  • Personalized medicine

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