Results 71 to 80 of about 908,779 (266)
Analyzing Learned Molecular Representations for Property Prediction
, 2019 Advancements in neural machinery have led to a wide range of algorithmic solutions for molecular property prediction. Two classes of models in particular have yielded promising results: neural networks applied to computed molecular fingerprints or expert-
Barzilay, Regina +14 more
core +2 more sources
Modeling hepatic fibrosis in TP53 knockout iPSC‐derived human liver organoids
Molecular Oncology, EarlyView.This study developed iPSC‐derived human liver organoids with TP53 gene knockout to model human liver fibrosis. These organoids showed elevated myofibroblast activation, early disease markers, and advanced fibrotic hallmarks. The use of profibrotic differentiation medium further amplified the fibrotic signature seen in the organoids.
Mustafa Karabicici +8 more
wiley +1 more source
Topological properties of altan-benzenoid hydrocarbons [PDF]
Journal of the Serbian Chemical Society, 2014 The main topological characteristics of altan-benzenoids are established. In particular, it is shown that the perimeter of Kekuléan altan-benzenoids is of size 4k , having a destablizing (antiaromatic) energy effect, similar to (4k)-annulenes.
Gutman Ivan
doaj +1 more source
Interactive Data Mining for Molecular Graphs [PDF]
Journal of Analytical Methods in Chemistry, 2009 Designing new medical drugs for a specific disease requires extensive analysis of many molecules that have an activity for the disease. The main goal of these extensive analyses is to discover substructures (fragments) that account for the activity of these molecules. Once they are discovered, these fragments are used to understand the structure of new
Yılmaz, Burcu, Göktürk, Mehmet
openaire +3 more sources
Molecular Oncology, EarlyView.Following high dose rate brachytherapy (HDR‐BT) for hepatocellular carcinoma (HCC), patients were classified as responders and nonresponders. Post‐therapy serum induced increased BrdU incorporation and Cyclin E expression of Huh7 and HepG2 cells in nonresponders, but decreased levels in responders.
Lukas Salvermoser +14 more
wiley +1 more source
, 2005 In the first work of this series [physics/0204035] it was shown that the conformational space of a molecule could be described to a fair degree of accuracy by means of a central hyperplane arrangement.
A. Bjorner +10 more
core +1 more source
Inhibition of CDK9 enhances AML cell death induced by combined venetoclax and azacitidine
Molecular Oncology, EarlyView.The CDK9 inhibitor AZD4573 downregulates c‐MYC and MCL‐1 to induce death of cytarabine (AraC)‐resistant AML cells. This enhances VEN + AZA‐induced cell death significantly more than any combination of two of the three drugs in AraC‐resistant AML cells.
Shuangshuang Wu +18 more
wiley +1 more source
A model for the emergence of cooperation, interdependence and structure in evolving networks
, 2000 Evolution produces complex and structured networks of interacting components in chemical, biological, and social systems. We describe a simple mathematical model for the evolution of an idealized chemical system to study how a network of cooperative ...
Bak +8 more
core +2 more sources
, 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
A synthetic benzoxazine dimer derivative targets c‐Myc to inhibit colorectal cancer progression
Molecular Oncology, EarlyView.Benzoxazine dimer derivatives bind to the bHLH‐LZ region of c‐Myc, disrupting c‐Myc/MAX complexes, which are evaluated from SAR analysis. This increases ubiquitination and reduces cellular c‐Myc. Impairing DNA repair mechanisms is shown through proteomic analysis.
Nicharat Sriratanasak +8 more
wiley +1 more source