KEKULE - OCR OPTICAL CHEMICAL (STRUCTURE) RECOGNITION
KEKULE - OCR OPTICAL CHEMICAL (STRUCTURE) RECOGNITION
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DOI：
10.1021/ci00008a018
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发表时间：
1992-07-01
期刊：
影响因子：
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通讯作者：
BALMUTH, JR
中科院分区：
文献类型：
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作者：
MCDANIEL, JR;BALMUTH, JR
开发Kekule程序是为了满足将打印的化学结构图有效地转换为连接表和其他计算机可读格式的需要，这些格式适合于化学结构数据库的更新和搜索。扫描仪用于捕获结构图。然后，Kekule使用栅格到矢量、光学字符识别和基于规则的逻辑将这些图表解释为内部格式。提供了对产生的解释或新图表的创建的编辑。输出以ISIS、MOLFILE、SMILES、ROSDAL和内部格式提供。提供了用于将结果传送到远程数据库系统的接口。生成的结构图像可以复制到文字处理器和桌面出版商，以获得出版质量的输出。
The Kekule program was developed to fulfill a need for efficiently converting printed chemical structure diagrams into connection tables and other computer-readable formats suitable for chemical structure database updating and searching. Scanners are used to capture structure diagrams. Kekule then interprets these diagrams into an internal format using raster-to-vector, optical character recognition, and rule-based logic. Editing of the resulting interpretation or creation of new diagrams is provided. Output is available in ISIS, MOLfile, SMILES, ROSDAL, and internal formats. Interfaces are provided for communicating results to remote database systems. Resulting structure images can be copied to word processors and desktop publishers for publication-quality output.