Results 181 to 190 of about 19,357,515 (242)

Quantitative Structure-activity Relationship-based Neural Network Model in Screening Potential Inhibitors from Brown Algae against RelA in Oral Squamous Cell Carcinoma. [PDF]

Int Dent J
Alqarni A, Hosmani J, Alassiri S, Alqahtani AMA, Assiri HA, AlHousami T, Zaki H, Patil S.   +7 more
europepmc   +1 more source

Influence of Scan Strategies in Electron Beam Powder Bed Fusion on Solidification, Microstructure, and High‐Temperature Compressive Properties of γ′‐Strengthened Inconel 738LC

Advanced Engineering Materials, EarlyView.
Experiments and thermophysical simulations were conducted to investigate the electron beam powder bed fusion electron beam (PBF‐EB/M) process for the γ′‐strengthened nickel‐based superalloy Inconel 738LC. The results demonstrate the impact of process‐induced microstructural variations on high‐temperature mechanical behavior, providing a basis for ...
Jan Niklas Petenati, Karthik Kumar Banku, Prasanth Bondi, Ivan Zhirnov, Yangyiwei Yang, Gordon Schmidt, Jürgen Christen, Georg Hasemann, Manja Krüger, Bai‐Xiang Xu, Bilal Gökce, Silja‐Katharina Rittinghaus   +11 more
wiley   +1 more source

Quantitative structure-activity relationship model to predict the stability constant of uranium coordination complexes for novel uranium adsorbent design. [PDF]

RSC Adv
Shin HK, Sihn Y.
europepmc   +1 more source

Continuous Stiffness Graded Metal–Ceramic Femoral Stems: UMAT‐Based Design and Finite Element Assessment

Advanced Engineering Materials, EarlyView.
Functionally graded metal–ceramic femoral stems are engineered through continuous UMAT‐based stiffness tailoring, eliminating discrete material interfaces while enhancing biomechanical compatibility. Low‐index power‐law gradation optimizes load transfer, reduces stress shielding, and controls implant–bone micromotion, highlighting a materials‐design ...
Rihem Nouira, Sameh Elleuch, Hanen Jrad
wiley   +1 more source

Topological regression as an interpretable and efficient tool for quantitative structure-activity relationship modeling. [PDF]

Nat Commun
Zhang R, Nolte D, Sanchez-Villalobos C, Ghosh S, Pal R.   +4 more
europepmc   +1 more source

Additive Manufacturing of Alumina‐Reinforced Elastomers

Advanced Engineering Materials, EarlyView.
Vat‐photopolymerized elastomers reinforced with platelet‐shaped alumina exhibited preferential orientation, reduced porosity, and significantly enhanced mechanical performance. A 3 wt% platelet loading increased tensile strength from 12.4 to 45.7 MPa, highlighting the critical role of filler morphology in elastomeric VPP composites.
Majid Barzegar Keyvani, Zongwen Fu, Robert Göstl, Hamed Shokri, Carmine Putignano, Gianluca Percoco, Bilal Gökce   +6 more
wiley   +1 more source

A Simple Machine Learning-Based Quantitative Structure-Activity Relationship Model for Predicting pIC₅₀ Inhibition Values of FLT3 Tyrosine Kinase. [PDF]

Pharmaceuticals (Basel)
Alcázar JJ, Sánchez I, Merino C, Monasterio B, Sajuria G, Miranda D, Díaz F, Campodónico PR.   +7 more
europepmc   +1 more source

DigiChrom: A Domain Ontology for Semantic Representation of Trivalent Chromium Platings and Its Large Language Model‐Based Alignment With Multiple Mid‐Level Ontologies

Advanced Engineering Materials, EarlyView.
Digitalizing electroplating requires both domain knowledge and interoperability. This work introduces PlatOn, a domain ontology for trivalent chromium plating and coating characterization, and a hybrid pipeline that aligns it to a mid‐level reference ontology by combining eight similarity metrics with language model reasoning. Expert‐validated mappings
Janik Harter, Elena Garcia Trelles, Christoph Schweizer, Thomas Seifert, Christoph Baumer, Mahmoud Elkady, Katja Feige, Daniel Grimme, Edgar Hoffmann, Andreas Waibel, Anke Walter   +10 more
wiley   +1 more source

Design and Synthesis of Pleuromutilin Derivatives as Antibacterial Agents Using Quantitative Structure-Activity Relationship Model. [PDF]

Int J Mol Sci
Zhang J, Liu Q, Zhao H, Li G, Yi Y, Shang R.   +5 more
europepmc   +1 more source

High‐Resolution Corrosion Fingerprinting of Alloy Libraries via Microdroplet Spectroelectrochemistry

Advanced Engineering Materials, EarlyView.
Ionic‐liquid microdroplet spectroelectrochemistry enables stable, localized electrochemical measurements over extended timescales. By coupling impedance spectroscopy, wetting analysis, finite‐element simulations, and operando Raman spectroscopy, it disentangles geometrical and electrochemical effects, opening new opportunities for rapid corrosion ...
Ekaterina Kurchavova, Oumaïma Gharbi, Mireille Turmine, Vincent Vivier   +3 more
wiley   +1 more source