Results 71 to 80 of about 481,445 (263)

Spatial and single‐nuclei transcriptomics reveals idiosyncratic and generic patterns in papillary and anaplastic thyroid cancers

open access: yesMolecular Oncology, EarlyView.
Matched spatial transcriptomics and single‐nuclei RNA‐seq were generated for anaplastic and BRAFV600E papillary thyroid cancers revealing generic and tumor‐specific states occurring in cancer cells and in the tumor microenvironment. In this context, cancer dedifferentiation mirrored organoid maturation through ordered thyroid marker gain/loss ...
Adrien Tourneur   +11 more
wiley   +1 more source

molecular graph

open access: yes, 2014
Citation: 'molecular graph' in the IUPAC Compendium of Chemical Terminology, 3rd ed.; International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. 10.1351/goldbook.MT07069 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms.
openaire   +1 more source

Chemical Equitable Partitions: A New Perspective on Molecular Symmetries and Its Implications for the Study of Structure–Property Relationships

open access: yesProceedings
In this work, the concept of equitable partition is applied to molecular graphs to define quantitative descriptors of the symmetry and complexity of molecules, with the ultimate goal of shedding new light on the structure–property relationships of ...
Vasilios Raptis, Ioannis Michos
doaj   +1 more source

Inhibition of cyclin‐dependent kinases 12/13 using CT7439 as a treatment for colorectal cancer with CDK12 upregulation

open access: yesMolecular Oncology, EarlyView.
The proposed mechanism of action for the CDK12/13 inhibitor and cyclin K degrader, CT7439. CDK12/13 inhibition interrupts transcription elongation, leading to increased DNA damage that results in cell death. This agent is a potentially novel treatment option for patients with colorectal cancer. Created in BioRender. Cyclin‐dependent kinase (CDK) 12 and
Wylie K. Watlington   +10 more
wiley   +1 more source

The Structure and Chemical Bond of FOX-7: The AIM Analysis and Vibrational Normal Modes [PDF]

open access: yesIranian Journal of Chemistry & Chemical Engineering, 2011
FOX-7 (1,1-diamino-2,2-dinitroethylene) recently is expected as a relatively new energetic material with high-performance and low sensitivity. The RHF and MP2 levels and DFT method with B3LYP functional with aug-cc-pVDZ basis set have been used for ...
Jamshid Najafpour, Narges Zohari
doaj  

Cancer‐associated mutations in endometriosis reframe a benign disease through molecular oncology

open access: yesMolecular Oncology, EarlyView.
This review aims to comprehensively analyse cancer‐associated somatic mutations (CAMs) present in endometriotic lesions, emphasizing their biological roles, spatial distribution and implications for translational applications in medicine. By contextualizing a benign state within a genomic framework, this analysis seeks to establish its value as a ...
Clarissa Mujacic   +15 more
wiley   +1 more source

Total and Double Total Domination Number on Hexagonal Grid

open access: yesMathematics, 2019
In this paper, we determine the upper and lower bound for the total domination number and exact values and the upper bound for the double-total domination number on hexagonal grid H m , n with m hexagons in a row and n hexagons in a column ...
Antoaneta Klobučar, Ana Klobučar
doaj   +1 more source

Epigenetic silencing of the liver‐specific lncRNA LUNAR promotes liver cancer progression via NOTCH activation

open access: yesMolecular Oncology, EarlyView.
LUNAR is a liver‐specific long noncoding RNA (lncRNA) that is highly expressed in normal liver but becomes epigenetically silenced in hepatocellular carcinoma through promoter hypermethylation. Loss of LUNAR is associated with NOTCH activation, epithelial–mesenchymal transition, and metastasis, whereas restoring LUNAR restrains metastatic progression ...
Se Ha Jang   +9 more
wiley   +1 more source

On the Scalability of GNNs for Molecular Graphs

open access: yesAdvances in Neural Information Processing Systems 37
Scaling deep learning models has been at the heart of recent revolutions in language modelling and image generation. Practitioners have observed a strong relationship between model size, dataset size, and performance. However, structure-based architectures such as Graph Neural Networks (GNNs) are yet to show the benefits of scale mainly due to the ...
Maciej Sypetkowski   +6 more
openaire   +3 more sources

Eccentricity-Based Topological Indices of a Cyclic Octahedron Structure

open access: yesMathematics, 2018
In this article, we study the chemical graph of a cyclic octahedron structure of dimension n and compute the eccentric connectivity polynomial, the eccentric connectivity index, the total eccentricity, the average eccentricity, the first Zagreb index ...
Manzoor Ahmed Zahid   +3 more
doaj   +1 more source

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