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| Chemometrics/Cheminformatics Promoting Research Paradigm Transformation for Chemistry and Analytical Measurement Science |
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| DOI： |
| KeyWord:chemometrics cheminformatics analytical measurement science research paradigm |
| Author | Institution |
| CHANG Yue-yue，WU Juan-ni，WANG Tong，WU Hai-long，YU Ru-qin |
State Key Laboratory of Chemo/Biosensing and Chemometrics，Hunan University，Changsha ，China |
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| Abstract: |
| The development of research paradigms has been discussed for chemical science in general，and analytical measurement science in particular．The emergence of theoretical science（second paradigm） is really the birth of modern science．For chemistry，it is a difficult mathematization process．Actually，chemistry has not been recognized as a true science until the computational science（third paradigm） emerged．Similar processes appeared for analytical chemistry and analytical measurement science．The emergences of chemometrics and cheminformatics have accelerated these processes．This paper focuses on the relevant progress in the process of chemometrics/cheminformatics promoting research paradigm transformation for chemistry and analytical measurement science from the perspective of the research works carried out in the authors’laboratory．It is found that chemometrics and cheminformatics could help chemistry and analytical measurement science to mine more valid information in the process of boosting mathematization and step into the third paradigm of computational science．With the rapid development of analytical measurement science and the arrival of the data tsunami，chemometrics and cheminformatics as matured chemical subbranches and tools are promoting chemistry and chemical measurement science stepping into a new data-intensive paradigm．The paper ends with an outlook on some future research trends. |
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