ChemIME: An Input Method Engine for Chemical Compounds∗
نویسندگان
چکیده
In the field of materials sciences, it is often needed to convert a compound name into corresponding molecular equations, 2D or 3D molecular structures. We present a concept and a prototype implementation of the input method engine that can convert various compound names (given as an IUPAC name) into corresponding molecular equations by using Java and the Java Input Method Framework. We also extend to give various 2D or 3D coordinate formats (MDL mol, CML, and Gaussian input file) with the help of Chemistry Development Kit (CDK) and some external programs.
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تاریخ انتشار 2009