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The C++ programming language in cheminformatics and computational chemistry
Journal of Cheminformatics ( IF 7.1 ) Pub Date : 2020-02-07 , DOI: 10.1186/s13321-020-0415-y
Dmitrii Rassokhin

This paper describes salient features of the C++ programming language and its programming ecosystem, with emphasis on how the language affects scientific software development. Brief history of C++ and its predecessor the C language is provided. Most important aspects of the language that define models of programming are described in greater detail and illustrated with code examples. Special attention is paid to the interoperability between C++ and other high-level languages commonly used in cheminformatics, machine learning, data processing and statistical computing.

中文翻译:

化学信息学和计算化学方面的C ++编程语言

本文描述了C ++编程语言及其编程生态系统的显着特征,重点介绍了该语言如何影响科学软件开发。提供了C ++及其前身C语言​​的简要历史。定义编程模型的语言的最重要方面将进行更详细的描述,并通过代码示例进行说明。特别注意C ++和其他在化学信息学,机器学习,数据处理和统计计算中常用的高级语言之间的互操作性。
更新日期:2020-02-07
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