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Cheminformatics
2015-12-08
 

Course Name

Cheminformatics

Course No

1040011810

Hours

54

Credits

3

Semester

5

Course Type

Elective

Instructor

Li Zhanyong & Shao Xueguang

Course Description:

Cheminformatics is a relatively new field of information technology that focuses on the collection, storage, analysis, and manipulation of chemical data. This course is intended to provide an introduction to the basic aspects of chemoinformatics, with particular emphasis on the retrieval method of chemical information. The course will mainly discuss the following subjects: (i) basic concept and theory of cheminformatics; (ii) chemical electronic / digital resources provided in Nankai University; (iii) strategy or skill for document retrieval based on database or internet resources for chemical reserach; (iv) softwares for chemical structure drawing, scientific data analysis & graphing, bibliographies management and publishing, etc. (v) chemical information management and simulation. (vi) mutlvariate calibration and factor analysis. (vii) optimization methods. (viii) advances in chemometric studies (wavelet transform, immune algorithm, etc.).

Prerequisites: