Results 211 to 220 of about 402,784 (308)

Quantitative Structure-Activity Relationship Analysis of Isosteviol-Related Compounds as Activated Coagulation Factor X (FXa) Inhibitors. [PDF]

Nutrients, 2022
Gackowski M, Szewczyk-Golec K, Mądra-Gackowska K, Pluskota R, Koba M.   +4 more
europepmc   +1 more source

Symbolic Regression and Multi‐Objective Optimization of the Flory–Huggins Interaction Parameter for Hydrogels

Advanced Engineering Materials, EarlyView.
We develop a data‐driven method to derive the mathematical expressions of the Flory–Huggins interaction parameter χ for the swelling behavior of temperature–responsive hydrogels. Starting from initial assumptions of χ, our workflow combines Bayesian optimization, Flory–Rehner theory, and symbolic regression to generate candidate χ expressions.
Yawen Wang, Adrian Ehrenhofer, Thomas Wallmersperger   +2 more
wiley   +1 more source

Food Grade Synthesis of Hetero-Coupled Biflavones and 3D-Quantitative Structure-Activity Relationship (QSAR) Modeling of Antioxidant Activity. [PDF]

Antioxidants (Basel)
Zheng H, Yang X, Zhang Q, Toy JYH, Huang D.   +4 more
europepmc   +1 more source

Quantitative Structure-Activity Relationship (QSAR) Study Predicts Small-Molecule Binding to RNA Structure. [PDF]

J Med Chem, 2022
Cai Z, Zafferani M, Akande OM, Hargrove AE.   +3 more
europepmc   +1 more source

Support vector regression-guided unravelling: antioxidant capacity and quantitative structure-activity relationship predict reduction and promotion effects of flavonoids on acrylamide formation [PDF]

, 2016
Mengmeng Huang, Yan Wei, Jun Wang, Yu Zhang   +3 more
openalex   +1 more source

Microstructure‐Controlled Crack Propagation and Fracture Resistance in MoSiBTiC Alloy Revealed by Multiscale Extended Finite Element Method Modeling

Advanced Engineering Materials, EarlyView.
A two‐dimensional multiscale finite element analysis framework was established for the first‐generation MoSiBTiC alloy, and the mechanical and fracture‐related parameters of the constituent phases were calibrated through experiments and simulations. The framework provides a basis for analyzing crack propagation behavior in its complex microstructure ...
Junfeng Du, Takahiro Kaneko, Xinyu Yan, Takahito Ohmura, Kyosuke Yoshimi   +4 more
wiley   +1 more source

Quantitative Structure-Activity Relationship Models to Predict Cardiac Adverse Effects. [PDF]

Chem Res Toxicol
Mou Z, Volarath P, Racz R, Cross KP, Girireddy M, Chakravarti S, Stavitskaya L.   +6 more
europepmc   +1 more source

Quantitative Structure-Activity Relationship, Ontology-Based Model of the Antioxidant and Cell Protective Activity of Peat Humic Acids. [PDF]

Polymers (Basel), 2022
Zykova MV, Brazovskii KS, Bratishko KA, Buyko EE, Logvinova LA, Romanenko SV, Konstantinov AI, Krivoshchekov SV, Perminova IV, Belousov MV.   +9 more
europepmc   +1 more source

Bioaccumulationand Biotransformation of TriazolePesticides in Rice (Oryza sativa L.):Quantitative Structure–Activity Relationship, Metabolic Pathways,and Toxicity Assessment

Lu Liu (171341), Pingping Wang (1485592), Xiyue Tu (21180152), Yuhao Cao (9083666), Shaohan Zhang (11263613), Yuan Lu (249915), Hao Chen (5190), Zhipeng Cheng (6942260), Hongwen Sun (1421434)   +8 more
openalex   +1 more source

Hydrogen‐Assisted Fracture of Iron‐Based Fe–Ni–Al Alloys

Advanced Engineering Materials, EarlyView.
Principal relations and fracture mechanisms of single‐phase and precipitate‐strengthened Fe–Ni–Al alloys subjected to prior electrochemical hydrogen charging are identified. The mechanisms of hydrogen effect on strength and microhardness are discussed, including hydrogen‐induced increase in microhardness and the role of hydrogen in fracture behavior ...
Nataliya Yadzhak, Olha Zvirko, Rostyslav Leshchak, Hryhoriy Nykyforchyn   +3 more
wiley   +1 more source