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纳米信息学:为纳米医学开发新的计算应用程序。

Nanoinformatics: developing new computing applications for nanomedicine.

作者信息

Maojo V, Fritts M, Martin-Sanchez F, De la Iglesia D, Cachau R E, Garcia-Remesal M, Crespo J, Mitchell J A, Anguita A, Baker N, Barreiro J M, Benitez S E, De la Calle G, Facelli J C, Ghazal P, Geissbuhler A, Gonzalez-Nilo F, Graf N, Grangeat P, Hermosilla I, Hussein R, Kern J, Koch S, Legre Y, Lopez-Alonso V, Lopez-Campos G, Milanesi L, Moustakis V, Munteanu C, Otero P, Pazos A, Perez-Rey D, Potamias G, Sanz F, Kulikowski C

机构信息

Biomedical Informatics Group, Facultad de Informatica, Universidad Politecnica de Madrid, Spain.

出版信息

Comput Sci Eng. 2012 Jun 1;94(6):521-539. doi: 10.1007/s00607-012-0191-2. Epub 2012 Mar 7.

Abstract

Nanoinformatics has recently emerged to address the need of computing applications at the nano level. In this regard, the authors have participated in various initiatives to identify its concepts, foundations and challenges. While nanomaterials open up the possibility for developing new devices in many industrial and scientific areas, they also offer breakthrough perspectives for the prevention, diagnosis and treatment of diseases. In this paper, we analyze the different aspects of nanoinformatics and suggest five research topics to help catalyze new research and development in the area, particularly focused on nanomedicine. We also encompass the use of informatics to further the biological and clinical applications of basic research in nanoscience and nanotechnology, and the related concept of an extended "nanotype" to coalesce information related to nanoparticles. We suggest how nanoinformatics could accelerate developments in nanomedicine, similarly to what happened with the Human Genome and other -omics projects, on issues like exchanging modeling and simulation methods and tools, linking toxicity information to clinical and personal databases or developing new approaches for scientific ontologies, among many others.

摘要

纳米信息学最近应运而生,以满足纳米层面计算应用的需求。在这方面,作者参与了各种举措,以确定其概念、基础和挑战。虽然纳米材料为许多工业和科学领域开发新设备提供了可能性,但它们也为疾病的预防、诊断和治疗提供了突破性的视角。在本文中,我们分析了纳米信息学的不同方面,并提出了五个研究课题,以帮助推动该领域的新研究和开发,特别是专注于纳米医学。我们还包括利用信息学来推进纳米科学和纳米技术基础研究的生物学和临床应用,以及扩展的“纳米类型”相关概念,以整合与纳米颗粒相关的信息。我们提出纳米信息学如何能够加速纳米医学的发展,类似于人类基因组和其他“组学”项目所发生的情况,涉及交换建模和模拟方法及工具、将毒性信息与临床和个人数据库相链接,或开发科学本体的新方法等诸多问题。

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