Results 111 to 120 of about 322,559 (240)

Models of quantitative relationship “Structure – activity” in performing preliminary toxicological assessment of chemicals

, 2023
Ekaterina A. Guseva, Natalia I. Nikolayeva, А. С. Филин, Yulia V. Rasskazova, Г. Г. Онищенко   +4 more
openalex   +1 more source

First‐Principles Modeling of Solid Solution Softening and Hardening Effects in Al–Mg–Zr–Si Aluminum Alloys

Advanced Engineering Materials, EarlyView.
The role of various alloying elements in face‐centered cubic aluminum on the barrier of a Shockley partial dislocation during its motion is presented. The study aims to understand how alloying atoms such as Mg, Si, and Zr affect the energy landscape for dislocation motion, thus influencing the solid solution hardening and softening in aluminum, which ...
Inna Plyushchay, Zhengqing Wei, Nebahat Bulut, Sibylle Gemming   +3 more
wiley   +1 more source

Data-Driven Quantitative Structure-Activity Relationship Modeling for Human Carcinogenicity by Chronic Oral Exposure. [PDF]

Environ Sci Technol, 2023
Chung E, Russo DP, Ciallella HL, Wang YT, Wu M, Aleksunes LM, Zhu H.   +6 more
europepmc   +1 more source

Application of a Self-Organizing Map to Quantitative Structure-Activity Relationship Analysis of Carboquinone and Benzodiazepine

, 2004
Junko Kawakami, Kenji Hoshi, Akiko Ishiyama, Sayaka Miyagishima, Kenichi Sato   +4 more
openalex   +2 more sources

A Simulative Approach for the Prediction of Mesoscale Residual Stress Fields in Solution‐Strengthened Ferritic Ductile Iron

Advanced Engineering Materials, EarlyView.
This study presents a 3D representative volume element‐based simulation approach to predict mesoscopic residual stress and strain fields in silicon solid solution‐strengthened ductile cast iron. By modeling phase transformation kinetics with an enhanced Johnson–Mehl–Avrami–Kolmogorov model, the effects of varying cooling rates on residual stresses are ...
Lutz Horbach, Oliver Schenk, Valérian Iss, Ali Rajaei, Jiali Zhang, Felix Weber, Christoph Broeckmann   +6 more
wiley   +1 more source

Benzofuran–Morpholinomethyl–Pyrazoline Hybrids as a New Class of Vasorelaxant Agents: Synthesis and Quantitative Structure–Activity Relationship Study

, 2014
Ghaneya S. Hassan, Doaa E. Abdel Rahman, Dalia O. Saleh, Gehad A. Abdel Jaleel   +3 more
openalex   +2 more sources

Mechanical Behavior and Microstructural Changes Associated with Tensile Deformation above the Martensite Start Temperature during Quenching and Subsequent Partitioning of a Low‐Alloy 37SiB6 Steel

Advanced Engineering Materials, EarlyView.
A new experimental setup, incorporating digital image correlation and infrared thermography in combination with inductive‐conductive heating for precise temperature control, is used to analyze the mechanical behavior and microstructural changes of sheet metal under complex thermomechanical test conditions that represent quench and partitioning ...
Christian Illgen, Benjamin Bohne, Sven Winter, Marcus Böhme, Martin F.-X. Wagner   +4 more
wiley   +1 more source

A Quantitative Structure-Activity Relationship for Human Plasma Protein Binding: Prediction, Validation and Applicability Domain. [PDF]

Adv Pharm Bull, 2023
Khaouane A, Ferhat S, Hanini S.
europepmc   +1 more source

Generalizability Improvement of Interpretable Symbolic Regression Models for Quantitative Structure–Activity Relationships [PDF]

Raku Shirasawa, Katsushi Takaki, Tomoyuki Miyao   +2 more
openalex   +1 more source

Quantitative structure-activity relationships for predicting potential ecological hazard of organic chemicals for use in regulatory risk assessments [PDF]

, 2003
Mike Comber, John D. Walker, Chris Watts, Joop L. M. Hermens   +3 more
openalex   +1 more source