Results 61 to 70 of about 151,281 (298)

Quantitative Structure–Property Relationship (QSPR) Modeling of Normal Boiling Point Temperature and Composition of Binary Azeotropes [PDF]

, 2016
Quantitative structure–property relationship (QSPR) modeling of normal boiling point temperature (Taz) and the composition (weight fraction, X1w) of 176 binary azeotropic mixtures was performed using ensemble multiple linear regression analysis and ...
Alexandre Varnek (1425595), Gilles Marcou (1425589), Ioana Oprisiu (2134963), Vitaly P. Solov’ev (2134960)   +3 more
core   +1 more source

Symbolic regression for the interpretation of quantitative structure-property relationships

Artificial Intelligence in the Life Sciences, 2022
The interpretation of quantitative structure–activity or structure–property relationships is important in the field of chemoinformatics. Although multivariate linear regression models are typically interpretable, they do not generally have high predictive abilities.
Katsushi Takaki, Tomoyuki Miyao
openaire   +2 more sources

Investigating transcription factor dynamics in health and disease using FRAP

FEBS Letters, EarlyView.
FRAP analysis of GFP‐tagged transcription factors reveals how molecular mobility and target engagement change in response to drug treatment. By combining live‐cell imaging, quantitative model fitting, and statistical analysis, this approach uncovers transcription factor dynamics linked to disease mechanisms, providing a powerful framework for ...
Kannan Govindaraj, Carolina Vazquez Garzon, Jose Joaquin Velasco, Janine N. Post   +3 more
wiley   +1 more source

Application of quantum chemical descriptor in quantitative structure activity and structure property relationship [PDF]

, 2000
Various quantum chemical descriptors such as ionisation potential (I), electron affinity (A), quantum chemical hardness index (η), softness index (S), electronegativity (χ) and electrophilicity (ω) have been used in order to develop a possible ...
Subramanian, V., Unni Nair, Balachandran, Raghava Rao, J., Thanikaivelan, P.   +3 more
core   +1 more source

The role of miR‐335‐5p in the redifferentiation of BRAF p.V600E thyroid cancers

Molecular Oncology, EarlyView.
The BRAF p.V600E mutation promotes thyroid cancer dedifferentiation and radioiodine resistance. Using a network approach, we identified miR‐335‐5p as a key regulator of BRAF‐mutated thyroid tumors. Restoring miR‐335‐5p increased thyroid‐specific gene expression and iodine uptake in cells and organoids.
Valeria Pecce, Simone Bini, Marialuisa Sponziello, Giorgio Grani, Giulia Fiscon, Paola Paci, Lorenzo Farina, Rosa Falcone, Valentina Maggisano, Sebastiano Filetti, Cosimo Durante, Antonella Verrienti   +11 more
wiley   +1 more source

A GNN-Based QSPR Model for Surfactant Properties

Colloids and Interfaces
Surfactants are among the most versatile molecules in the chemical industry because they can self-assemble in bulk solutions and at interfaces. Predicting the properties of surfactant solutions, such as their critical micelle concentration (CMC ...
Seokgyun Ham, Xin Wang, Hongwei Zhang, Brian Lattimer, Rui Qiao   +4 more
doaj   +1 more source

Physicochemical and statistical characterization of gas-sensing behaviors of resonator sensors with carbonaceous films prepared by rf-sputtering of aromatic and hydrophilic biomolecules

Results in Chemistry, 2022
Quartz crystal resonators coated with gas-sorptive films were characterized by analyzing their structures and their organic gas-sorption behaviors, which were then studied using statistics and computational molecular simulations.
Iwao Sugimoto, Yoriko Suda, Kazuhiko Takahashi   +2 more
doaj   +1 more source

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

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

Quantitative structure-property relationship models [PDF]

, 2015
Preliminarna procjena određenih kemijskih svojstava bez direktne sinteze spoja igra vrlo važnu ulogu u modernoj kemiji. Takva evaluacija smanjuje troškove razvoja novih spojeva potiskujući teoretski neuspješne kandidate koji bi morali biti pripremljeni i
Nikolaš, Ljubica
core