The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics.
The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics.
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DOI：
10.1021/ci025584y
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发表时间：
2003-03
期刊：
影响因子：
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通讯作者：
Willighagen E
中科院分区：
文献类型：
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作者：
Steinbeck C;Han Y;Kuhn S;Horlacher O;Luttmann E;Willighagen E
化学开发套件（CDK）是一个可免费获得的用于结构化学和生物信息学的开源Java库。介绍了来自学术和工业机构的国际合作者团队的建筑和能力以及开发项目的开发项目。 CDK提供了许多分子信息学中许多常见任务的方法，包括化学结构的2D和3D渲染，I/O例程，微笑解析和产生，环搜索，同构检查，结构图的产生等。应用程序场景以及访问信息给出了感兴趣的用户和潜在贡献者。
The Chemistry Development Kit (CDK) is a freely available open-source Java library for Structural Chemo-and Bioinformatics. Its architecture and capabilities as well as the development as an open-source project by a team of international collaborators from academic and industrial institutions is described. The CDK provides methods for many common tasks in molecular informatics, including 2D and 3D rendering of chemical structures, I/O routines, SMILES parsing and generation, ring searches, isomorphism checking, structure diagram generation, etc. Application scenarios as well as access information for interested users and potential contributors are given.