发布求助
文献互助 智能选刊 最新文献

Iranian journal of mathematical chemistry最新文献

筛选
英文 中文
A Robust Spectrophotometric Method using Least Squares Support Vector Machine for Simultaneous Determination of Anti−Diabetic Drugs and Comparison with the Chromatographic Method 最小二乘支持向量机鲁棒分光光度法同时测定抗糖尿病药物并与色谱法比较
IF 1.3
Iranian journal of mathematical chemistry Pub Date : 2020-03-01 DOI: 10.22052/IJMC.2020.212363.1477
Vale Arabzadeh, M. Sohrabi, N. Goudarzi, M. Davallo
{"title":"A Robust Spectrophotometric Method using Least Squares Support Vector Machine for Simultaneous Determination of Anti−Diabetic Drugs and Comparison with the Chromatographic Method","authors":"Vale Arabzadeh, M. Sohrabi, N. Goudarzi, M. Davallo","doi":"10.22052/IJMC.2020.212363.1477","DOIUrl":"https://doi.org/10.22052/IJMC.2020.212363.1477","url":null,"abstract":"In the present paper, the simultaneous spectrophotometric estimation of Metformin (MET) and Pioglitazone (PIO) in an antidiabetic drug called Actoplus MET based on least squares support vector machine (LS-SVM) was proposed. The optimum gamma (γ) and sigma (σ) parameters were found to be 825 and 90 with the root mean square error (RMSE) of 0.1343for MET, as well as 1000 and 350 with RMSE=0.4120 for PIO. Also, the mean recovery values of MET and PIO were 99.81% and 100.19%, respectively. Ultimately, the real sample was analyzed by High-Performance Liquid Chromatography (HPLC) reference method and the proposed procedure. Then, one-way analysis of variance (ANOVA) test at the 95 % confidence level was performed on achieved results from HPLC and LS-SVM methods. The statistical data of these methods showed that there were no significant differences between them.","PeriodicalId":14545,"journal":{"name":"Iranian journal of mathematical chemistry","volume":"37 1","pages":"43-55"},"PeriodicalIF":1.3,"publicationDate":"2020-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88393849","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: 1
Some Results on Forgotten Topological Coindex 关于遗忘拓扑协指数的一些结果
IF 1.3
Iranian journal of mathematical chemistry Pub Date : 2019-12-01 DOI: 10.22052/IJMC.2019.174722.1432
M. Azari, Farzaneh Falahati-Nezhed
{"title":"Some Results on Forgotten Topological Coindex","authors":"M. Azari, Farzaneh Falahati-Nezhed","doi":"10.22052/IJMC.2019.174722.1432","DOIUrl":"https://doi.org/10.22052/IJMC.2019.174722.1432","url":null,"abstract":"The forgotten topological coindex (also called Lanzhou index) is defined for a simple connected graph G as the sum of the terms du2+dv2 over all non-adjacent vertex pairs uv of G, where du denotes the degree of the vertex u in G. In this paper, we present some inequalities for the forgotten topological coindex in terms of some graph parameters such as the order, size, number of pendent vertices, minimal and maximal vertex degrees, and minimal non-pendent vertex degree. We also study the relation between this invariant and some well-known graph invariants such as the Zagreb indices and coindices, multiplicative Zagreb indices and coindices, Zagreb eccentricity indices, eccentric connectivity index and coindex, and total eccentricity. Exact formulae for computing the forgotten topological coindex of double graphs and extended double cover of a given graph are also proposed.","PeriodicalId":14545,"journal":{"name":"Iranian journal of mathematical chemistry","volume":"6 1","pages":"307-318"},"PeriodicalIF":1.3,"publicationDate":"2019-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77148689","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: 11
The number of maximal matchings in polyphenylene chains 聚苯链中最大匹配的数目
IF 1.3
Iranian journal of mathematical chemistry Pub Date : 2019-12-01 DOI: 10.22052/IJMC.2019.191800.1447
Taylor Short, Zachary Ash
{"title":"The number of maximal matchings in polyphenylene chains","authors":"Taylor Short, Zachary Ash","doi":"10.22052/IJMC.2019.191800.1447","DOIUrl":"https://doi.org/10.22052/IJMC.2019.191800.1447","url":null,"abstract":"A matching is maximal if no other matching contains it as a proper subset. Maximal matchings model phenomena across many disciplines, including applications within chemistry. In this paper, we study maximal matchings in an important class of chemical compounds: polyphenylenes. In particular, we determine the extremal polyphenylene chains in regards to the number of maximal matchings. We also determine recurrences and generating functions for the sequences enumerating maximal matchings in several specific types of polyphenylenes and use these results to analyze the asymptotic behavior.","PeriodicalId":14545,"journal":{"name":"Iranian journal of mathematical chemistry","volume":"34 1","pages":"343-360"},"PeriodicalIF":1.3,"publicationDate":"2019-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73372849","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: 2
On the Graovac-Ghorbani index Graovac-Ghorbani指数
IF 1.3
Iranian journal of mathematical chemistry Pub Date : 2019-12-01 DOI: 10.22052/IJMC.2019.169508.1420
M. Ghorbani, Shaghayegh Rahmani, O. Ori
{"title":"On the Graovac-Ghorbani index","authors":"M. Ghorbani, Shaghayegh Rahmani, O. Ori","doi":"10.22052/IJMC.2019.169508.1420","DOIUrl":"https://doi.org/10.22052/IJMC.2019.169508.1420","url":null,"abstract":"For the edge e = uv of a graph G, let nu = n(u|G) be the number of vertices of G lying closer to the vertex u than to the vertex v and nv= n(v|G) can be defined simailarly. Then the ABCGG index of G is defined as ABCGG =sum_{e=uv} sqrt{f(u,v)}, where f(u,v)= (nu+nv-2)/nunvThe aim of this paper is to give some new results on this graph invariant. We also calculate the ABCGG of an infinite family of fullerenes.","PeriodicalId":14545,"journal":{"name":"Iranian journal of mathematical chemistry","volume":"113 1","pages":"295-305"},"PeriodicalIF":1.3,"publicationDate":"2019-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80623242","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: 1
QSPR Analysis with Curvilinear Regression Modeling and Topological Indices 基于曲线回归模型和拓扑指标的QSPR分析
IF 1.3
Iranian journal of mathematical chemistry Pub Date : 2019-12-01 DOI: 10.22052/IJMC.2019.191865.1448
Ozge Colakoglu Havare
{"title":"QSPR Analysis with Curvilinear Regression Modeling and Topological Indices","authors":"Ozge Colakoglu Havare","doi":"10.22052/IJMC.2019.191865.1448","DOIUrl":"https://doi.org/10.22052/IJMC.2019.191865.1448","url":null,"abstract":"Topological indices are the real number of a molecular structure obtained via molecular graph G. Topological indices are used for QSPR, QSAR and structural design in chemistry, nanotechnology, and pharmacology. Moreover, physicochemical properties such as the boiling point, the enthalpy of vaporization, and stability can be estimated by QSAR/QSPR models. In this study, the QSPR (Quantitative Structure-Property Relationship) models were designed using the Gutman index, the product connectivity Banhatti index, the Variance of degree index, and the Sigma index to predict the thermodynamic properties of monocarboxylic acids. The relationship analyses between the thermodynamic properties and the topological indices were done by using the curvilinear regression method. It is used with the linear, quadratic and cubic equations of the curvilinear regression model. These regression models were then compared.","PeriodicalId":14545,"journal":{"name":"Iranian journal of mathematical chemistry","volume":"75 1","pages":"331-341"},"PeriodicalIF":1.3,"publicationDate":"2019-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88538648","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: 8
On the Revised Edge-Szeged Index of Graphs 图的修正边-塞格索引
IF 1.3
Iranian journal of mathematical chemistry Pub Date : 2019-12-01 DOI: 10.22052/IJMC.2019.200349.1460
Hechao Liu, L. You, Zikai Tang
{"title":"On the Revised Edge-Szeged Index of Graphs","authors":"Hechao Liu, L. You, Zikai Tang","doi":"10.22052/IJMC.2019.200349.1460","DOIUrl":"https://doi.org/10.22052/IJMC.2019.200349.1460","url":null,"abstract":"The revised edge-Szeged index of a connected graph $G$ is defined as Sze*(G)=∑e=uv∊E(G)( (mu(e|G)+(m0(e|G)/2)(mv(e|G)+(m0(e|G)/2) ), where mu(e|G), mv(e|G) and m0(e|G) are, respectively, the number of edges of G lying closer to vertex u than to vertex v, the number of edges of G lying closer to vertex v than to vertex u, and the number of edges equidistant to u and v. In this paper, we give an effective method for computing the revised edge-Szeged index of unicyclic graphs and using this result we identify the minimum revised edge-Szeged index of conjugated unicyclic graphs (i.e., unicyclic graphs with a perfect matching). We also give a method of calculating revised edge-Szeged index of the joint graph.","PeriodicalId":14545,"journal":{"name":"Iranian journal of mathematical chemistry","volume":"61 1","pages":"279-293"},"PeriodicalIF":1.3,"publicationDate":"2019-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74117566","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: 1
On Generalized Atom-bond Connectivity Index of Cacti 仙人掌的广义原子键连通性指标
IF 1.3
Iranian journal of mathematical chemistry Pub Date : 2019-12-01 DOI: 10.22052/IJMC.2019.195759.1456
Fazal Hayat
{"title":"On Generalized Atom-bond Connectivity Index of Cacti","authors":"Fazal Hayat","doi":"10.22052/IJMC.2019.195759.1456","DOIUrl":"https://doi.org/10.22052/IJMC.2019.195759.1456","url":null,"abstract":"The generalized atom-bond connectivity index of a graph G is denoted by ABCa(G) and defined as the sum of weights ((d(u)+d(v)-2)/d(u)d(v))aa$ over all edges uv∊G. A cactus is a graph in which any two cycles have at most one common vertex. In this paper, we compute sharp bounds for  ABCa index for cacti of order $n$ with fixed number of cycles and for cacti of order $n$ with given number of pendant vertices. Furthermore, we identify all the cacti that achieve the bounds.","PeriodicalId":14545,"journal":{"name":"Iranian journal of mathematical chemistry","volume":"82 1","pages":"319-330"},"PeriodicalIF":1.3,"publicationDate":"2019-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76898671","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: 5
A Novel Molecular Descriptor Derived from Weighted Line Graph 一种新的加权线形分子描述符
IF 1.3
Iranian journal of mathematical chemistry Pub Date : 2019-09-01 DOI: 10.22052/IJMC.2017.84168.1287
C. Adhikari, B. K. Mishra
{"title":"A Novel Molecular Descriptor Derived from Weighted Line Graph","authors":"C. Adhikari, B. K. Mishra","doi":"10.22052/IJMC.2017.84168.1287","DOIUrl":"https://doi.org/10.22052/IJMC.2017.84168.1287","url":null,"abstract":"The Bertz indices, derived by counting the number of connecting edges of line graphs of a molecule were used in deriving the QSPR models for the physicochemical properties of alkanes. The inability of these indices to identify the hetero centre in a chemical compound restricted their applications to hydrocarbons only. In the present work, a novel molecular descriptor has been derived from the weighted line graph of the molecular structure and applied in correlating the physicochemical properties of alkane isomers with these descriptors. A weight is tagged at the vertex of the line graph, which consequently modifies the weight of the edge. These descriptors were found to classify the alkane isomers and served well in deriving the QSPR models for various physicochemical properties. The mathematical calculations include the quantitative treatment on the role of substituents (alkyl) in governing the properties under study of the alkane isomers. Further, the use of weighted line graph in the enumeration of the topological index opens up a new vista on application to heteroatomic systems.","PeriodicalId":14545,"journal":{"name":"Iranian journal of mathematical chemistry","volume":"92 1","pages":"195-207"},"PeriodicalIF":1.3,"publicationDate":"2019-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86201042","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
Some Topological Indices of Edge Corona of Two Graphs 两图边电晕的若干拓扑指标
IF 1.3
Iranian journal of mathematical chemistry Pub Date : 2019-09-01 DOI: 10.22052/IJMC.2017.34313.1132
C. Adiga, M. Raju, Rakshith Billava Ramanna, Anitha Narasimhamurthy
{"title":"Some Topological Indices of Edge Corona of Two Graphs","authors":"C. Adiga, M. Raju, Rakshith Billava Ramanna, Anitha Narasimhamurthy","doi":"10.22052/IJMC.2017.34313.1132","DOIUrl":"https://doi.org/10.22052/IJMC.2017.34313.1132","url":null,"abstract":"In this paper, we compute the Wiener index, first Zagreb index, second Zagreb index, degree distance index and Gutman index of edge corona of two graphs. Also in some cases we derive formulas for Weiner index, Zagreb indices, degree distance and Gutman index in terms of vertices and edges .","PeriodicalId":14545,"journal":{"name":"Iranian journal of mathematical chemistry","volume":"22 1","pages":"209-222"},"PeriodicalIF":1.3,"publicationDate":"2019-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84989273","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: 1
The Minimum Estrada Index of Spiro Compounds with k Quadrangles 具有k四边形的螺旋化合物的最小Estrada指数
IF 1.3
Iranian journal of mathematical chemistry Pub Date : 2019-09-01 DOI: 10.22052/IJMC.2019.149094.1392
M. Iranmanesh, Razieh Nejati
{"title":"The Minimum Estrada Index of Spiro Compounds with k Quadrangles","authors":"M. Iranmanesh, Razieh Nejati","doi":"10.22052/IJMC.2019.149094.1392","DOIUrl":"https://doi.org/10.22052/IJMC.2019.149094.1392","url":null,"abstract":"Abstract. Let G = (V,E) be a fi nite and simple graph with λ1, λ2,...,λn as its eigenvalues.The Estrada index of G is EE(G) =∑ni=1e^{λi} . A spiro compound is a chemical compound that presents a twisted structure of two or more rings, in which 2 or 3 rings are linked together by one common atom. In this paper, we show that the symmetric and stable spiro compounds among all spiro compounds have the minimum Estrada index.","PeriodicalId":14545,"journal":{"name":"Iranian journal of mathematical chemistry","volume":"33 1","pages":"241-249"},"PeriodicalIF":1.3,"publicationDate":"2019-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77227278","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
首页 上一页 下一页 尾页
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整，为了账户安全，请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们：info@booksci.cn Book学术提供免费学术资源搜索服务，方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号：481959085
Book学术官方微信