Results 111 to 120 of about 822,180 (287)

Artificial Intelligence-Based Quantitative Structure-Property Relationship Model for Predicting Human Intestinal Absorption of Compounds with Serotonergic Activity. [PDF]

Mol Pharm, 2023
Czub N, Szlęk J, Pacławski A, Klimończyk K, Puccetti M, Mendyk A.   +5 more
europepmc   +1 more source

NFDI MatWerk Ontology (MWO): A BFO‐Compliant Ontology for Research Data Management in Materials Science and Engineering

Advanced Engineering Materials, EarlyView.
This article presents the NFDI‐MatWerk Ontology (MWO), a Basic Formal Ontology‐based framework for interoperable research data management in materials science and engineering (MSE). Covering consortium structures, research data management resources, services, and instruments, MWO enables semantic integration, Findable, Accessible, Interoperable, and ...
Hossein Beygi Nasrabadi, Ebrahim Norouzi, Kostiantyn Hubaiev, Jörg Waitelonis, Harald Sack   +4 more
wiley   +1 more source

The q-RASPR approach for predicting the property and fate of persistent organic pollutants

Scientific Reports
This study presents a quantitative read-across structure-property relationship (q-RASPR) approach that integrates the chemical similarity information used in read-across with traditional quantitative structure-property relationship (QSPR) models.
Chia Ming Chang, Arkaprava Banerjee, Vinay Kumar, Kunal Roy, Emilio Benfenati   +4 more
doaj   +1 more source

Synergistic Inhibition Guided Fragment-Linking Strategy and Quantitative Structure-Property Relationship Modeling To Design Inhalable Therapeutics for Asthma Targeting CSF1R. [PDF]

ACS Omega, 2023
Vaid TM, Demissie R, Kwon Y, Tran T, Moon HG, Villegas JA, Park GY, Johnson ME, Lee H.   +8 more
europepmc   +1 more source

Investigation of Laser Ablation and Brush Pre‐Treatments for AlCu Cold Roll Bonding in Oxygen‐Free Conditions

Advanced Engineering Materials, EarlyView.
It is shown that laser ablation pretreatment under oxygen‐free conditions enables copper–aluminium bonding at significantly lower deformation degrees and improved properties compared to mechanical brushing. Laser ablation further increases interface contact area and induces favourable residual stress states and microstructural compatibility ...
Khemais Barienti, Finn‐Lennard Janthur, Selina Raumel, Sascha Jan Zimmermann, Sarah Seffer, René Gustus, Sebastian Herbst, Marc C. Wurz, Ludger Overmeyer, Wolfgang Maus‐Friedrichs, Hans Jürgen Maier, Florian Nürnberger   +11 more
wiley   +1 more source

Microstructural Evolution and Vacancy Defect Formation in Mn–Mo–Ni RPV Steel Under Low Cycle Fatigue: Insights From EBSD and PALS

Advanced Engineering Materials, EarlyView.
Low‐cycle fatigue damage in Mn–Mo–Ni reactor pressure vessel steel is examined using a combined electron backscatter diffraction and positron annihilation lifetime spectroscopy approach. The study correlates texture evolution, dislocation substructure development, and vacancy‐type defect formation across uniform, necked, and fracture regions, providing
Apu Sarkar, Dhanadeep Dutta, G. Bharat Reddy   +2 more
wiley   +1 more source

Novel Random Forest Ensemble Modeling Strategy Combined with Quantitative Structure-Property Relationship for Density Prediction of Energetic Materials. [PDF]

ACS Omega, 2023
Li M, Lai W, Li R, Zhou J, Liu Y, Yu T, Zhang T, Tang H, Li H.   +8 more
europepmc   +1 more source

EBSD Study of Creep‐Induced Lattice Misorientation in MgO‐Particle‐Reinforced Austenitic Steel Composites

Advanced Engineering Materials, EarlyView.
Creep experiments at 900°C on coarse‐grained steel‐ceramic composites containing recycled magnesia reveal that higher ceramic volume fractions significantly enhance the creep resistance. Detailed EBSD investigations identify subgrain formation in the steel matrix as the dominant deformation mechanism.
Moritz Müller, Amaya Compart, Mahnaz Mehdizadehlima, Serhii Yaroshevskyi, Christos G. Aneziris, Horst Biermann, Anja Weidner   +6 more
wiley   +1 more source

Application of Machine Learning in Developing Quantitative Structure-Property Relationship for Electronic Properties of Polyaromatic Compounds. [PDF]

ACS Omega, 2022
Nguyen TH, Nguyen LH, Truong TN.
europepmc   +1 more source

A Numerical–Experimental Approach for Multi‐Matrix Fiber‐Reinforced Plastics Characterization Using Finite Element Model Updating

Advanced Engineering Materials, EarlyView.
A numerical–experimental framework is developed for characterizing multi‐matrix fiber‐reinforced polymers (MM‐FRPs) combining epoxy and polyurethane matrices. Harmonic bending tests are integrated with finite element model updating (FEMU) to simultaneously identify elastic and viscoelastic material parameters.
Rodrigo M. Dartora, Tales V. Lisbôa, Axel Spickenheuer, Rogério J. Marczak, Jakson M. Vassoler   +4 more
wiley   +1 more source