Results 81 to 90 of about 446,524 (307)

Network divergence analysis identifies adaptive gene modules and two orthogonal vulnerability axes in pancreatic cancer

Molecular Oncology, EarlyView.
Tumors contain diverse cellular states whose behavior is shaped by context‐dependent gene coordination. By comparing gene–gene relationships across biological contexts, we identify adaptive transcriptional modules that reorganize into distinct vulnerability axes.
Brian Nelson, Lyanne Delgado‐Coka, Natalia Marchenko, Luisa F. Escobar‐Hoyos, Kenneth R. Shroyer, Alisa Yurovsky, Trey Ideker, Gábor Balázsi, Thomas MacCarthy, Scott Powers   +9 more
wiley   +1 more source

Optimizing GNN Architectures Through Nonlinear Activation Functions for Potent Molecular Property Prediction

Computation
Accurate predictions of molecular properties are crucial for advancements in drug discovery and materials science. However, this task is complex and requires effective representations of molecular structures.
Areen Rasool, Jamshaid Ul Rahman, Quaid Iqbal   +2 more
doaj   +1 more source

Few-Shot Graph Learning for Molecular Property Prediction

, 2021
Zhichun Guo, Chuxu Zhang, Wenhao Yu, John E. Herr, Olaf Wiest, Meng Jiang, Nitesh V. Chawla   +6 more
openalex   +1 more source

molecular graph theory

, 2014
Citation: 'molecular graph theory' 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.MT07070 • 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

Irregularity of molecular graphs [PDF]

Kragujevac Journal of Science, 2016
A graph whose all vertices have equal degrees is said to be regular. If this is not the case, then the graph is irregular. Various measure of irregularity have been proposed. These are described and compared, with particular emphasis on molecular graphs.
openaire   +2 more sources

RIPK4 function interferes with melanoma cell adhesion and metastasis

Molecular Oncology, EarlyView.
RIPK4 promotes melanoma growth and spread. RIPK4 levels increase as skin lesions progress to melanoma. CRISPR/Cas9‐mediated deletion of RIPK4 causes melanoma cells to form less compact spheroids, reduces their migratory and invasive abilities and limits tumour growth and dissemination in mouse models.
Norbert Wronski, Sławomir Lasota, Ewelina Madej, Anna A. Brożyna, Małgorzata Szczygieł, Agnieszka Harazin‐Lechowska, Jan Czerbniak, Janusz Rys, Jaroslaw Czyz, Agnieszka Wolnicka‐Glubisz   +9 more
wiley   +1 more source

Quantitative Structure–Property Relationship Analysis in Molecular Graphs of Some Anticancer Drugs with Temperature Indices Approach

Mathematics
The most important application of anticancer drugs in various forms (alkylating agents, hormones agents, and antimetabolites) is the treatment of malignant diseases.
Xiaolong Shi, Ruiqi Cai, Jaber Ramezani Tousi, Ali Asghar Talebi   +3 more
doaj   +1 more source

M-Polynomials and Degree-Based Topological Indices of VC₅C₇[p,q] and HC₅C₇[p,q] Nanotubes

IEEE Access, 2019
Analysts are creating materials, for example, a carbon nanotube-based composite created by NASA that bends when a voltage is connected. Applications incorporate the use of an electrical voltage to change the shape (transform) of airship wings and ...
Jia-Bao Liu, Muhammad Younas, Mustafa Habib, Muhammad Yousaf, Waqas Nazeer   +4 more
doaj   +1 more source

Molecular graphs, point groups, and fullerenes

The Journal of Chemical Physics, 1992
A general and convenient method is described by which one can obtain the point group, the 13C NMR pattern, and the number of IR- and Raman-active vibrations of any given fullerene structure directly from its molecular graph. The method is based on certain ‘‘topological’’ atomic coordinates, the Cartesian components of which in a topological principal ...
Manolopoulos, D, Fowler, P
openaire   +1 more source

COMP–PMEPA1 axis promotes epithelial‐to‐mesenchymal transition in breast cancer cells

Molecular Oncology, EarlyView.
This study reveals that cartilage oligomeric matrix protein (COMP) promotes epithelial‐to‐mesenchymal transition (EMT) in breast cancer. We identify PMEPA1 (protein TMEPAI) as a novel COMP‐binding partner that mediates EMT via binding to the TSP domains of COMP, establishing the COMP–PMEPA1 axis as a key EMT driver in breast cancer.
Konstantinos S. Papadakos, Gilar Gorji‐bahri, Lejla Gradjan, Julia Zajac, Kacper Gil, Yvonne Thokozile Nduku, Anna M. Blom   +6 more
wiley   +1 more source