Multiplicative degree based topological indices of some chemical structures in drug
Abstract In quantitative structure property relationship analysis (QSPR) and quantitative structure property relationship analysis (QSAR) the correlation between different properties/activities and molecular structure of chemical compounds is investigated which is helpful in drug design. Topological...
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Universidad Católica del Norte, Departamento de Matemáticas
2020
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oai:scielo:S0716-091720200005013472020-11-16Multiplicative degree based topological indices of some chemical structures in drugCancan,MuratMondal,SouravDe,NilanjanPal,Anita Topological index Dox-loaded micelle comprising PEGPAsp block copolymer with chemically conjugated Dox SP[n] Polyomino chain of n-cycles Triangular benzenoid (Tn) Circumcoronene benzenoid series (Hk) Abstract In quantitative structure property relationship analysis (QSPR) and quantitative structure property relationship analysis (QSAR) the correlation between different properties/activities and molecular structure of chemical compounds is investigated which is helpful in drug design. Topological index is an useful tool to predict different physical and chemical properties of molecule by collecting information from the molecular graph. In this article, multiplicative degree based topological indices are obtained for some chemical structures widely used in drug design, especially in anticancer drug discovery. To visualize the indices, the results are interpreted graphically.info:eu-repo/semantics/openAccessUniversidad Católica del Norte, Departamento de MatemáticasProyecciones (Antofagasta) v.39 n.5 20202020-01-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0716-09172020000501347en10.22199/issn.0717-6279-2020-05-0082 |
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Scielo Chile |
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Scielo Chile |
language |
English |
topic |
Topological index Dox-loaded micelle comprising PEGPAsp block copolymer with chemically conjugated Dox SP[n] Polyomino chain of n-cycles Triangular benzenoid (Tn) Circumcoronene benzenoid series (Hk) |
spellingShingle |
Topological index Dox-loaded micelle comprising PEGPAsp block copolymer with chemically conjugated Dox SP[n] Polyomino chain of n-cycles Triangular benzenoid (Tn) Circumcoronene benzenoid series (Hk) Cancan,Murat Mondal,Sourav De,Nilanjan Pal,Anita Multiplicative degree based topological indices of some chemical structures in drug |
description |
Abstract In quantitative structure property relationship analysis (QSPR) and quantitative structure property relationship analysis (QSAR) the correlation between different properties/activities and molecular structure of chemical compounds is investigated which is helpful in drug design. Topological index is an useful tool to predict different physical and chemical properties of molecule by collecting information from the molecular graph. In this article, multiplicative degree based topological indices are obtained for some chemical structures widely used in drug design, especially in anticancer drug discovery. To visualize the indices, the results are interpreted graphically. |
author |
Cancan,Murat Mondal,Sourav De,Nilanjan Pal,Anita |
author_facet |
Cancan,Murat Mondal,Sourav De,Nilanjan Pal,Anita |
author_sort |
Cancan,Murat |
title |
Multiplicative degree based topological indices of some chemical structures in drug |
title_short |
Multiplicative degree based topological indices of some chemical structures in drug |
title_full |
Multiplicative degree based topological indices of some chemical structures in drug |
title_fullStr |
Multiplicative degree based topological indices of some chemical structures in drug |
title_full_unstemmed |
Multiplicative degree based topological indices of some chemical structures in drug |
title_sort |
multiplicative degree based topological indices of some chemical structures in drug |
publisher |
Universidad Católica del Norte, Departamento de Matemáticas |
publishDate |
2020 |
url |
http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0716-09172020000501347 |
work_keys_str_mv |
AT cancanmurat multiplicativedegreebasedtopologicalindicesofsomechemicalstructuresindrug AT mondalsourav multiplicativedegreebasedtopologicalindicesofsomechemicalstructuresindrug AT denilanjan multiplicativedegreebasedtopologicalindicesofsomechemicalstructuresindrug AT palanita multiplicativedegreebasedtopologicalindicesofsomechemicalstructuresindrug |
_version_ |
1718439885270941696 |