Applications of 2D descriptors in drug design: a DRAGON tale
AM Helguera, RD Combes… - Current topics in …, 2008 - ingentaconnect.com
In order to minimize expensive drug failures, is essential to determine potential activity,
toxicity and ADME problems as early as possible. In view of the large libraries of compounds …
toxicity and ADME problems as early as possible. In view of the large libraries of compounds …
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 …
up to decanes are systematically compiled. The bp values are classified into groups of lower …
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 …
Discovery, 2005, 2, 606-624 Szeged Index – Applications for Drug Modeling# Padmakar V …
[BOOK][B] Graph-theoretical matrices in chemistry
Divided into five sections, this book offers 200 graph-theoretical matrices covering
adjacency and related matrices, distance and related matrices, incidence matrices, and …
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 …
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 …
in which a novel distance–based graph invariant–eventually named the Szeged index and …
[HTML][HTML] On Harary index of graphs
The Harary index is defined as the sum of reciprocals of distances between all pairs of
vertices of a connected graph. For a connected graph G=(V, E) and two nonadjacent vertices …
vertices of a connected graph. For a connected graph G=(V, E) and two nonadjacent vertices …
Harary index-twelve years later
Sažetak A modification of the Harary index, denoted by H and introduced twelve years ago,
is proposed. Unlike the original index, this index, called the modified Harary index and …
is proposed. Unlike the original index, this index, called the modified Harary index and …
On harary index
B Zhou, X Cai, N Trinajstić - Journal of mathematical chemistry, 2008 - Springer
On Harary index Page 1 J Math Chem (2008) 44:611–618 DOI 10.1007/s10910-007-9339-2
ORIGINAL PAPER On Harary index Bo Zhou · **aochun Cai · Nenad Trinajstic Received: 26 …
ORIGINAL PAPER On Harary index Bo Zhou · **aochun Cai · Nenad Trinajstic Received: 26 …
Bounds on Harary index
In this paper, we obtain the lower and upper bounds on the Harary index of a connected
graph (molecular graph), and, in particular, of a triangle-and quadrangle-free graphs in …
graph (molecular graph), and, in particular, of a triangle-and quadrangle-free graphs in …