Szeged index-applications for drug modeling

PV Khadikar, S Karmarkar, VK Agrawal… - Letters in Drug …, 2005 - ingentaconnect.com
Szeged Index – Applications for Drug Modeling# Page 1 606 Letters in Drug Design &
Discovery, 2005, 2, 606-624 Szeged Index – Applications for Drug Modeling# Padmakar V …

On topological indices, boiling points, and cycloalkanes

G Rücker, C Rücker - Journal of chemical information and …, 1999 - ACS Publications
The experimental boiling points (bp) of saturated hydrocarbons (acyclic through polycyclic)
up to decanes are systematically compiled. The bp values are classified into groups of lower …

[图书][B] Graph-theoretical matrices in chemistry

D Janezic, A Milicevic, S Nikolic, N Trinajstic - 2015 - books.google.com
Divided into five sections, this book offers 200 graph-theoretical matrices covering
adjacency and related matrices, distance and related matrices, incidence matrices, and …

Wiener-type topological indices

MV Diudea, I Gutman - Croatica chemica acta, 1998 - hrcak.srce.hr
Sažetak A unified approach to the Wiener topological index and its various recent
modifications, is presented. Among these modifications particular attention is paid to the …

[PDF][PDF] The Szeged index—a success story

I Gutman, AA Dobrynin - Graph Theory Notes NY, 1998 - researchgate.net
In 1994, in the 27th issue of the Graph Theory Notes of New York a paper [1] was published,
in which a novel distance–based graph invariant–eventually named the Szeged index and …

QSAR comparative study of Wiener descriptors for weighted molecular graphs

O Ivanciuc - Journal of chemical information and computer …, 2000 - ACS Publications
Quantitative structure− property relationship (QSPR) and quantitative structure− activity
relationship (QSAR) studies use statistical models to compute physical, chemical, or …

[PDF][PDF] On generalization of Wiener index for cyclic structures

M Randić - Acta Chim. Slov, 2002 - acta-arhiv.chem-soc.si
We have critically examined a particular generalization of Wiener index to cyclic structures
known as Szeged index. Limited ability of Szeged index to give fair correlation of boiling …

On the interpretation and interpretability of quantitative structure–activity relationship models

R Guha - Journal of computer-aided molecular design, 2008 - Springer
The goal of a quantitative structure–activity relationship (QSAR) model is to encode the
relationship between molecular structure and biological activity or physical property. Based …

Indices of reciprocal properties or Harary indices

MV Diudea - Journal of chemical information and computer …, 1997 - ACS Publications
Reciprocal topological properties are used for building up novel indices referred to as
Harary indices. They are defined by the aid of matrix algebra and examplified on appropriate …

Historical development of topological indices

AT Balaban, O Ivanciuc - … indices and related descriptors in QSAR …, 2000 - taylorfrancis.com
AT Balaban and O. Ivanciuc Department of Organic Chemistry, Faculty of Chemical
Technology, University “Politehnica” of Bucharest, Oficiul 12 CP 243, 78100 Bucharest …