Oprea Tudor I, Tropsha Alexander, Faulon Jean-Loup, Rintoul Mark D
Division of Biocomputing, MSC11 6145, University of New Mexico School of Medicine, 2703 Frontier NE, Albuquerque, New Mexico 87131, USA.
Nat Chem Biol. 2007 Aug;3(8):447-50. doi: 10.1038/nchembio0807-447.
The increasing availability of data related to genes, proteins and their modulation by small molecules has provided a vast amount of biological information leading to the emergence of systems biology and the broad use of simulation tools for data analysis. However, there is a critical need to develop cheminformatics tools that can integrate chemical knowledge with these biological databases and simulation approaches, with the goal of creating systems chemical biology.
与基因、蛋白质及其受小分子调控相关的数据日益丰富，这提供了大量生物学信息，促使系统生物学的兴起以及数据分析模拟工具的广泛应用。然而，迫切需要开发化学信息学工具，这些工具能够将化学知识与这些生物数据库及模拟方法整合起来，目标是创建系统化化学生物学。
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