Results 41 to 50 of about 11,784 (256)

Adapting the Interrelated Two-way Clustering method for Quantitative Structure-Activity Relationship (QSAR) Modeling of a Diverse Set of Chemical Compounds

open access: yes, 2013
Interrelated Two-way Clustering (ITC) is an unsupervised clustering method developed to divide samples into two groups in gene expression data obtained through microarrays, selecting important genes simultaneously in the process.
Basak, Subhash C.   +2 more
core   +1 more source

Eccentric topological properties of a graph associated to a finite dimensional vector space

open access: yesMain Group Metal Chemistry, 2020
A topological index is actually designed by transforming a chemical structure into a number. Topological index is a graph invariant which characterizes the topology of the graph and remains invariant under graph automorphism.
Liu Jia-Bao   +5 more
doaj   +1 more source

Comparative Study of Y-Junction Nanotubes with Vertex-Edge Based Topological Descriptors

open access: yesJournal of Mathematics, 2022
The current results of various forms of carbon nanostructures and its applications in different areas attract the researchers. In pharmaceutical, medicine, industry and electronic devices they used it by its graphical invariants.
Al-Nashri Al-Hossain Ahmad
doaj   +1 more source

Entropies Via Various Molecular Descriptors of Layer Structure of H3BO3

open access: yesMathematics, 2022
Entropy is essential. Entropy is a measure of a system’s molecular disorder or unpredictability, since work is produced by organized molecular motion.
Muhammad Usman Ghani   +4 more
doaj   +1 more source

On Topological Indices for New Classes of Benes Network

open access: yesJournal of Mathematics, 2021
Topological indices (TIs) transform a molecular graph into a number. The TIs are a vital tool for quantitative structure activity relationship (QSAR) and quantity structure property relationship (QSPR).
Aftab Hussain   +5 more
doaj   +1 more source

Degree based Topological indices of Hanoi Graph [PDF]

open access: yes, 2018
International audienceThere are various topological indices for example distance based topological indices and degree based topological indices etc. In QSAR/QSPR study, physiochemical properties and topological indices for example atom bond connectivity ...
Idrees, Nazeran, Khalid, Raghisa
core   +1 more source

In situ molecular organization and heterogeneity of the Legionella Dot/Icm T4SS

open access: yesFEBS Letters, EarlyView.
We present a nearly complete in situ model of the Legionella Dot/Icm type IV secretion system, revealing its central secretion channel and identifying new components. Using cryo‐electron tomography with AI‐based modeling, our work highlights the structure, variability, and mechanism of this complex nanomachine, advancing understanding of bacterial ...
Przemysław Dutka   +11 more
wiley   +1 more source

Computation of Topological Indices of Dutch Windmill Graph [PDF]

open access: yes, 2016
In this paper, we compute Atom-bond connectivity index, Fourth atom-bond connectivity index, Sum connectivity index, Randic connectivity index, Geometric-arithmetic connectivity index and Fifth geometric-arithmetic connectivity index of Dutch windmill ...
M R R Kumar, R, R P Jagadeesh
core  

Relaxation and physical aging in network glasses: a review

open access: yes, 2016
Recent progresses in the description of glassy relaxation and ageing are reviewed for the wide class of network-forming materials such as $GeO_2$, Ge$_x$Se$_{1-x}$, silicates (SiO$_2$-Na$_2$O) or borates (B$_2$O$_3$-Li$_2$O), all of them having an ...
Micoulaut, M.
core   +1 more source

Structural instability impairs function of the UDP‐xylose synthase 1 Ile181Asn variant associated with short‐stature genetic syndrome in humans

open access: yesFEBS Letters, EarlyView.
The Ile181Asn variant of human UDP‐xylose synthase (hUXS1), associated with a short‐stature genetic syndrome, has previously been reported as inactive. Our findings demonstrate that Ile181Asn‐hUXS1 retains catalytic activity similar to the wild‐type but exhibits reduced stability, a looser oligomeric state, and an increased tendency to precipitate ...
Tuo Li   +2 more
wiley   +1 more source

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