The Journal of Physical Chemistry and Biophysics in a Turbulent World of Ever-Increasing Scientific Output

S. Tatulian
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引用次数: 1

Abstract

We live in a world of databases. We are flooded with information. Is it good or bad? It’s certainly a good thing that comes with challenges. It is like a cloud with a silver lining, and the latter is real bright and luminous. Any information about atoms, molecules, supramolecular assemblies is just a few clicks away, something the midand even late20th century researchers could not even dream of. For example, you can attain the sequence and properties, and in most cases the structure, of any protein in less than a minute. Moreover, physical and chemical details of atoms and molecules such as energy levels, transitions, thermodynamics, various kinds of electronic, vibrational, and magnetic resonance spectra, are easily available from multiple databases, such as the 69 Standard Reference Databases offered by the National Institute of Standards and Technology. On the other hand, it’s not easy to keep pace with the fiercely mounting scientific and technology information. Reaxys reports properties of ~ 2.2 million inorganic and organometallic compounds, PubChem offers around 160 million chemical compounds, 60 million chemical structures, and 1 million biological assays [1]. Along with over 100 million DNA and protein sequences involving ~ 260,000 species that are available through the National Center for Biotechnology Information, over 115,000 macromolecular structures deposited in the Protein Data Bank, the amount of information simply becomes incomprehensible. Oftentimes we feel like we can’t see the trees because of the forest.
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《科学产出不断增加的动荡世界中的物理化学和生物物理学杂志》
我们生活在一个数据库的世界里。我们被信息淹没了。是好是坏?这当然是一件好事,伴随着挑战。它就像一朵带着银色衬里的云,后者才是真正的明亮和发光。任何关于原子、分子、超分子组合的信息都只需点击几下鼠标,这是20世纪中期甚至后期的研究人员做梦也想不到的。例如,您可以在不到一分钟的时间内获得任何蛋白质的序列和性质,以及在大多数情况下的结构。此外,原子和分子的物理和化学细节,如能级、跃迁、热力学、各种电子、振动和磁共振谱,可以很容易地从多个数据库中获得,例如国家标准与技术研究所提供的69个标准参考数据库。另一方面,跟上迅猛增长的科技信息的步伐并不容易。Reaxys报告了大约220万种无机和有机金属化合物的性质,PubChem提供了大约1.6亿种化合物,6000万种化学结构和100万种生物分析[1]。加上国家生物技术信息中心提供的超过1亿个DNA和蛋白质序列,涉及约26万个物种,以及存放在蛋白质数据库中的超过11.5万个大分子结构,信息量简直令人难以理解。我们常常觉得,因为森林,我们看不到树木。
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