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Lab of Computer Chemistry and Cheminformatics
Update time: 2009-05-31
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The computer chemistry and cheminformatics are emerging disciplines that bring information technology and chemistry together to form a new frontier. Involved in theoretical calculations, data management, algorithm development, data mining and knowledge discovery, the research of the lab plays a key role in chemical innovation.

Automatic interpretation and simulation of spectral data
Molecular simulation and discovery of new chemical  entities
Reaction classification and prediction
Chemical structure handling
Integrating of chemical information system. 
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