Int. J. Chemoinformatics Chem. Eng.最新文献_第5页

Modeling of Fluid Interaction Produced by Water Hammer 水锤产生的流体相互作用模型

Int. J. Chemoinformatics Chem. Eng. Pub Date : 1900-01-01 DOI: 10.4018/ijcce.2011010103

K. Asli, Faig Bakhman Ogli Naghiyev, S. Aliyev, H. H. Asli

引用次数: 7

A Quantitative Study on Simultaneous Effects of Governing Parameters in Electrospinning of Nanofibers using Modified Neural Network using Genetic Algorithm 基于遗传算法改进神经网络的纳米纤维静电纺丝控制参数同步效应定量研究

Int. J. Chemoinformatics Chem. Eng. Pub Date : 1900-01-01 DOI: 10.4018/IJCCE.2017010102

Shayan Seyedin, S. Maghsoodloo, V. Mottaghitalab

{"title":"A Quantitative Study on Simultaneous Effects of Governing Parameters in Electrospinning of Nanofibers using Modified Neural Network using Genetic Algorithm","authors":"Shayan Seyedin, S. Maghsoodloo, V. Mottaghitalab","doi":"10.4018/IJCCE.2017010102","DOIUrl":"https://doi.org/10.4018/IJCCE.2017010102","url":null,"abstract":"Inthisarticle,modifiedneuralnetworksusinggeneticalgorithmswereemployedtoinvestigatethe simultaneouseffectsoffourofthemostimportantparameters,namely;solutionconcentration(C); spinningdistance(d);appliedvoltage(V);andvolumeflowrate(Q)onmeanfiberdiameter(MFD), as well as standard deviation of fiber diameter (StdFD) in electrospinning of polyvinyl alcohol (PVA)nanofibers.Geneticalgorithmoptimizedneuralnetworks(GANN)wereusedformodeling theelectrospinningprocess.Theresultsindicatebetterexperimentalconditionsandmorepredictive abilityofGANNs.Therefore,theapproachofusinggeneticalgorithmstooptimizeneuralnetworksfor modelingtheelectrospinningprocesshasbeensuccessful.RSMcouldbeemployedwhenstatistical analysis,quantitativestudyoftheeffectsoftheparametersandvisualizationoftheresponsesurfaces areofinterest,whereasinthecaseofmodelingtheprocessandpredictingnewconditions,GANN isamorepowerfultoolandpresentsmoredesirableresults. KEywoRdS Electrospinning, Empirical Modeling, Genetic Algorithm Optimized Neural Networks (GANN), Response Surface Methodology","PeriodicalId":132974,"journal":{"name":"Int. J. Chemoinformatics Chem. Eng.","volume":"53 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115983788","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Long Destruction of Structurally Damaged Composite Pipe 结构损伤复合管的长期破坏

Int. J. Chemoinformatics Chem. Eng. Pub Date : 1900-01-01 DOI: 10.4018/ijcce.2013010104

B. AkhundovMohammed, Sadayev Azber Sh.

引用次数: 2

The Dispersion Effect of Carbon Nanotubes on the Viscoelastic Properties of Epoxy by Perez Model 碳纳米管分散对环氧树脂粘弹性性能的影响

Int. J. Chemoinformatics Chem. Eng. Pub Date : 1900-01-01 DOI: 10.4018/IJCCE.2017010101

A. Montazeri, M. Chitsazzadeh, R. Azad, Dorsa Madah

引用次数: 4

Theoretical Studies on the Structure and Spectroscopic Properties of 2, 4-D (2, 4-Diclorofenoxiacetic Acid) 2,4 - d(2,4 -二氯苯氧乙酸)结构与光谱性质的理论研究

Int. J. Chemoinformatics Chem. Eng. Pub Date : 1900-01-01 DOI: 10.4018/ijcce.2012010101

Mary Andino, Mariela I. Profeta, J. M. Romero, N. Jorge, E. Castro

引用次数: 0

Synthesis and Characterization of Chitosan-Poly Vinyl Alcohol-Graphene Oxide Nanocomposites 壳聚糖-聚乙烯醇-氧化石墨烯纳米复合材料的合成与表征

Int. J. Chemoinformatics Chem. Eng. Pub Date : 1900-01-01 DOI: 10.4018/IJCCE.2018010101

Fariba Saeedi, A. Montazeri, Y. Bahari, M. Pishvaee, M. Ranjbar

引用次数: 2

Preparation of a Uranium Conversion Plant's Nuclear Waste for Final Disposal by Means of Magnetically Assisted Chemical Separation 磁助化学分离法制备铀转化厂核废料的最终处理

Int. J. Chemoinformatics Chem. Eng. Pub Date : 1900-01-01 DOI: 10.4018/ijcce.2013010102

A. Ghaemi, Mehdi Maghsudi, Fatemeh Hanifpour, M. Samadfam

引用次数: 1

Graph-Theoretical Indices based on Simple, General and Complete Graphs 基于简单图、一般图和完全图的图理论指标

Int. J. Chemoinformatics Chem. Eng. Pub Date : 1900-01-01 DOI: 10.4018/ijcce.2011010102

L. Pogliani

引用次数: 5

Extension of Ugi's Scheme for Model-Driven Classification of Chemical Reactions 化学反应模型驱动分类Ugi方案的扩展

Int. J. Chemoinformatics Chem. Eng. Pub Date : 1900-01-01 DOI: 10.4018/IJCCE.2015010103

Shyantani Maiti, Sanjay Ram, Somnath Pal

{"title":"Extension of Ugi's Scheme for Model-Driven Classification of Chemical Reactions","authors":"Shyantani Maiti, Sanjay Ram, Somnath Pal","doi":"10.4018/IJCCE.2015010103","DOIUrl":"https://doi.org/10.4018/IJCCE.2015010103","url":null,"abstract":"The first step to predict the outcome of a chemical reaction is to classify existing chemical reactions, on the basis of which possible outcome of unknown reaction can be predicted. There are two approaches for classification of chemical reactions: Model-Driven and Data-Driven. In model-driven approach, chemical structures are usually stored in a computer as molecular graphs. Such graphs can also be represented as matrices. The most preferred matrix representation to store molecular graph is Bond-Electron matrix BE-matrix. The Reaction matrix R-matrix of a chemical reaction can be obtained from the BE-matrices of educts and products was shown by Ugi and his co-workers. Ugi's Scheme comprises of 30 reaction classes according to which reactions can be classified, but in spite of such reaction classes there were several reactions which could not be classified. About 4000 reactions were studied in this work from The Chemical Thesaurus a chemical reaction database and accordingly 24 new classes have emerged which led to the extension of Ugi's Scheme. An efficient algorithm based on the extended Ugi's scheme have been developed for classification of chemical reactions. Reaction matrices being symmetric, matrix implementation of extended Ugi's scheme using conventional upper/lower tri-angular matrix is of On2 in terms of space complexity. Time complexity of similar matrix implementation is On2 in worst case. The authors' proposed algorithm uses two fixed size look-up tables in a novel way and requires constant space complexity. Worst case time complexity of their algorithm although still On2 but it outperforms conventional matrix implementation when number of atoms or components in the chemical reaction is 4 or more.","PeriodicalId":132974,"journal":{"name":"Int. J. Chemoinformatics Chem. Eng.","volume":"96 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123861049","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 6

Systematics of Anomalies in the Filling of Electron Orbitals of Chemical Elements 化学元素电子轨道填充异常的系统分类

Int. J. Chemoinformatics Chem. Eng. Pub Date : 1900-01-01 DOI: 10.4018/IJCCE.2017010104

G. Zhizhin

引用次数: 1