期刊
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
卷 82, 期 1-2, 页码 200-209出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.chemolab.2005.06.022
关键词
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Chemoinformatics has evolved over the last 30 years into a scientific discipline that now is in full bloom. It covers many areas such as chemical structure representation, chemical reaction manipulation, data processing and data analysis, property prediction, chemometrics, data mining, structure elucidation, and synthesis design. Chemoinformatics methods have successfully been applied in all fields of chemistry. The future will bring a rapid expansion of the use of chemoinformatics to further our understanding of chemistry and to process the flood of chemical information. (c) 2005 Elsevier B.V. All rights reserved.
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