典型文献
Dynamic response surface methodology using Lasso regression for organic pharmaceutical synthesis
文献摘要：
To study the dynamic behavior of a process,time-resolved data are collected at different time instants during each of a series of experiments,which are usually designed with the design of experiments or the design of dynamic experiments methodologies.For utilizing such time-resolved data to model the dynamic behavior,dynamic response surface methodology (DRSM),a data-driven modeling method,has been proposed.Two approaches can be adopted in the estimation of the model parameters:stepwise regression,used in several of previous publications,and Lasso regression,which is newly incorporated in this paper for the estimation of DRSM models.Here,we show that both approaches yield similarly accurate models,while the computational time of Lasso is on average two magnitude smaller.Two case studies are performed to show the advantages of the proposed method.In the first case study,where the concentrations of different species are modeled directly,DRSM method provides more accurate models compared to the models in the literature.The second case study,where the reaction extents are modeled instead of the species concentrations,illustrates the versatility of the DRSM methodology.Therefore,DRSM with Lasso regression can provide faster and more accurate data-driven models for a variety of organic synthesis datasets.
文献关键词：
中图分类号：
作者姓名：
Yachao Dong;Christos Georgakis;Jacob Santos-Marques;Jian Du
作者机构：
Institute of Chemical Process Systems Engineering,School of Chemical Engineering,Dalian University of Technology,Dalian 116024,China;Department of Chemical and Biological Engineering and Systems Research Institute,Tufts University,Medford,MA 02155,USA
文献出处：
引用格式：
[1]Yachao Dong;Christos Georgakis;Jacob Santos-Marques;Jian Du-.Dynamic response surface methodology using Lasso regression for organic pharmaceutical synthesis)[J].化学科学与工程前沿,2022(02):221-236
A类：
DRSM
B类：
Dynamic,response,surface,methodology,using,Lasso,regression,organic,pharmaceutical,synthesis,To,study,dynamic,behavior,process,resolved,collected,different,instants,during,each,series,experiments,which,usually,designed,methodologies,For,utilizing,such,driven,modeling,has,been,proposed,Two,approaches,can,adopted,estimation,parameters,stepwise,used,several,previous,publications,newly,incorporated,this,paper,models,Here,we,show,that,both,yield,similarly,accurate,while,computational,average,two,magnitude,smaller,case,studies,performed,advantages,In,first,where,concentrations,species,modeled,directly,provides,more,compared,literature,second,reaction,extents,instead,illustrates,versatility,Therefore,faster,variety,datasets
AB值：
0.49056
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