[HTML][HTML] Big data creates new opportunities for materials research: a review on methods and applications of machine learning for materials design
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 …
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
Research has become increasingly more interdisciplinary over the past few years. Artificial
intelligence and its sub-fields have proven valuable for interdisciplinary research …
intelligence and its sub-fields have proven valuable for interdisciplinary research …
[HTML][HTML] The eccentric connectivity index of nanotubes and nanotori
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 …
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
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 …
(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 …
enable prediction of physico-chemical properties and the bioactivities of these compounds …
The eccentric connectivity polynomial of some graph operations
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 …
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
In this paper, a novel eccentric neighborhood degree-based topological indices, termed
eccentric neighborhood Zagreb indices, have been conceptualized and its discriminating …
eccentric neighborhood Zagreb indices, have been conceptualized and its discriminating …
Eccentric connectivity index: extremal graphs and values
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 …
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 …
indices from chemical reactivity electronegativity and chemical hardness has been …
[PDF][PDF] New results on eccentric connectivity indices of V-Phenylenic nanotube
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) …
set of edges. Cardinality of the vertex set is said to be order of graph G, denoted by| V (G) …