A new method of chemometricsAnt Colony Algorithm in Chemistry has been developed. In this paper, the evaluation function, the parameter choice and the basic principle have been discussed. The proposed method has been ...A new method of chemometricsAnt Colony Algorithm in Chemistry has been developed. In this paper, the evaluation function, the parameter choice and the basic principle have been discussed. The proposed method has been applied to the analysis for first\|derivative fluorescent mixed spectra of tryptophan, tyrosine and phenylalanine, and the relative errors are within ±5%. The new method has obvious superiority on the sides of the convergence speed and calculation precision as compared with Partial Last Squares(PLS) and Genetic Algorithms(GA).展开更多
物理有机化学(或有机反应机理)是有机化学专业研究生的必修课程,但人们对这门课程的认识却不尽相同。我们开设这门课程用一学年,每周四学时,以Lowry和Richardson编的Mechanism and Theory in Organic Chemistry为主要教材,同时参考March...物理有机化学(或有机反应机理)是有机化学专业研究生的必修课程,但人们对这门课程的认识却不尽相同。我们开设这门课程用一学年,每周四学时,以Lowry和Richardson编的Mechanism and Theory in Organic Chemistry为主要教材,同时参考March、Carey和Sundberg等主编的多种教材。本文试就笔者讲授过这门课程大部分章节的实践谈若干认识。我们选用Lowry等主编的教材,不仅因为它目前被美国的大多数大学采用,而且因为我们注意到这本教材对于各种有机反应机理所赖以建立的实验方法,阐述得最为透彻。就是说,展开更多
文摘A new method of chemometricsAnt Colony Algorithm in Chemistry has been developed. In this paper, the evaluation function, the parameter choice and the basic principle have been discussed. The proposed method has been applied to the analysis for first\|derivative fluorescent mixed spectra of tryptophan, tyrosine and phenylalanine, and the relative errors are within ±5%. The new method has obvious superiority on the sides of the convergence speed and calculation precision as compared with Partial Last Squares(PLS) and Genetic Algorithms(GA).
基金supported by National Science Foundation of China(20873083,21003088 and 21173144)Funding of Shanghai education commission fifth key disciplines(J50102)+1 种基金State Key Laboratory of Chemical Engineering(SKL-ChE-08A01)Innovation Foundation of Shanghai University(SHUCX112038)
文摘物理有机化学(或有机反应机理)是有机化学专业研究生的必修课程,但人们对这门课程的认识却不尽相同。我们开设这门课程用一学年,每周四学时,以Lowry和Richardson编的Mechanism and Theory in Organic Chemistry为主要教材,同时参考March、Carey和Sundberg等主编的多种教材。本文试就笔者讲授过这门课程大部分章节的实践谈若干认识。我们选用Lowry等主编的教材,不仅因为它目前被美国的大多数大学采用,而且因为我们注意到这本教材对于各种有机反应机理所赖以建立的实验方法,阐述得最为透彻。就是说,