[HTML][HTML] Big data creates new opportunities for materials research: a review on methods and applications of machine learning for materials design

T Zhou, Z Song, K Sundmacher - Engineering, 2019 - Elsevier
Materials development has historically been driven by human needs and desires, and this is
likely to continue in the foreseeable future. The global population is expected to reach ten …

A survey of datasets, preprocessing, modeling mechanisms, and simulation tools based on AI for material analysis and discovery

F Qayyum, DH Kim, SJ Bong, SY Chi, YH Choi - Materials, 2022 - mdpi.com
Research has become increasingly more interdisciplinary over the past few years. Artificial
intelligence and its sub-fields have proven valuable for interdisciplinary research …

[HTML][HTML] The eccentric connectivity index of nanotubes and nanotori

AR Ashrafi, M Saheli, M Ghorbani - Journal of computational and applied …, 2011 - Elsevier
Let G be a molecular graph. The eccentric connectivity index ξc (G) is defined as ξc (G)=∑
u∈ V (G) degG (u) εG (u), where degG (u) denotes the degree of vertex u and εG (u) is the …

[PDF][PDF] The eccentric connectivity index of TUC4C8 (R) nanotubes

AR Ashrafi, T Došlic, M Saheli - MATCH Commun. Math …, 2011 - researchgate.net
The eccentric connectivity index ξ (G) of a graph G is defined as ξ (G)=∑ u∈ V (G) deg (u) ε
(u), where deg (u) denotes the degree of the vertex u and ε (u) is the largest distance …

Computing distance-based topological descriptors of complex chemical networks: New theoretical techniques

S Hayat - Chemical Physics Letters, 2017 - Elsevier
Abstract Structure-based topological descriptors/indices of complex chemical networks
enable prediction of physico-chemical properties and the bioactivities of these compounds …

The eccentric connectivity polynomial of some graph operations

AR Ashrafi, M Ghorbani… - Serdica Journal of …, 2011 - serdica-comp.math.bas.bg
The eccentric connectivity index of a graph G, ξ^ C, was proposed by Sharma, Goswami and
Madan. It is defined as ξ^ C (G)=∑ u∈ V (G) degG (u) εG (u), where degG (u) denotes the …

Computational analysis for eccentric neighborhood Zagreb indices and their significance

H Ahmed, A Saleh, R Ismail, A Alameri - Heliyon, 2023 - cell.com
In this paper, a novel eccentric neighborhood degree-based topological indices, termed
eccentric neighborhood Zagreb indices, have been conceptualized and its discriminating …

Eccentric connectivity index: extremal graphs and values

T Došlić, M Saheli, D Vukičević - Iranian Journal of Mathematical …, 2010 - ijmc.kashanu.ac.ir
Eccentric connectivity index has been found to have a low degeneracy and hence a
significant potential of predicting biological activity of certain classes of chemical …

Parabolic reactivity “coloring” molecular topology: Application to carcinogenic PAHs

MV Putz, O Ori, F Cataldo… - Current Organic Chemistry, 2013 - ingentaconnect.com
The ability to derive colored representations of widely employed distance-based topological
indices from chemical reactivity electronegativity and chemical hardness has been …

[PDF][PDF] New results on eccentric connectivity indices of V-Phenylenic nanotube

Z Ahmad, M Naseem, M Naseem, MK Jamil… - Eurasian Chem …, 2020 - academia.edu
Let G=(V; E) be a molecular graph, where V (G) is a non-empty set of vertices and E (G) is a
set of edges. Cardinality of the vertex set is said to be order of graph G, denoted by| V (G) …