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  • WCSB9︱2019(第九届)世界采样和混样大会 查看全文>>
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友情链接
化学计量学/信息学助推化学与分析测试科学研究范式转换
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作者单位
常月月,伍娟妮,王童,吴海龙,俞汝勤 湖南大学 化学生物传感与计量学国家重点实验室湖南 长沙 410082 
基金项目:国家自然科学基金项目(22174036,21775039,21575039)
中文摘要:该文回顾了科学研究范式的形成并讨论了化学与分析测试科学的相关发展历程。实验科学向理论科学演进实际是现代科学的形成过程,对化学而言是一个困难的数学化进程,直到第三即计算科学范式形成,化学的现代科学地位才得以确定。分析化学或分析测试科学发展过程中遇到类似的问题,化学计量学/信息学在助推其完善分析化学“数学化”进程的同时,也能够挖掘更多有效信息。随着现代分析仪器的快速发展和数据海啸的到来,化学计量学/信息学作为成熟的化学学科分支和有力“武器”,正在协助并推动化学和分析测试科学步入第四即“数据密集型”的科学新范式。该文以作者实验室的研究工作为基础,论述了化学计量学/信息学助力推动化学与分析测试科学研究范式的转换过程中的相关进展,并对未来的研究动向进行了展望。
中文关键词:化学计量学  化学信息学  分析测试科学  科学研究范式
 
Chemometrics/Cheminformatics Promoting Research Paradigm Transformation for Chemistry and Analytical Measurement Science
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.
Key Words:chemometrics  cheminformatics  analytical measurement science  research paradigm
引用本文:常月月,伍娟妮,王童,吴海龙,俞汝勤.化学计量学/信息学助推化学与分析测试科学研究范式转换[J].分析测试学报,2022,41(9):1267-1278.
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