Results 191 to 200 of about 146,329 (252)

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

Auditing unauthorized training data from AI generated content using information isotopes. [PDF]

Nat Commun
Qi T, Yin J, Cai D, Xie Y, Wang H, Hu Z, Yang P, Nan G, Zhou Z, Wu C, Lyu L, Lyu L, Wang S, Huang Y, Lane ND.   +14 more
europepmc   +1 more source

The PRIMA Thesaurus for Materials Science and Engineering

Advanced Engineering Materials, EarlyView.
The PRIMA Thesaurus is a structured vocabulary designed to improve how materials science data is described and shared. Developed with input from multiple experts, it enables clear documentation of research workflows, data exchange, and reuse across platforms.
Rossella Aversa, Alexey Boubnov, Dario De Angelis, Catriona Eschke, Maximilian Kabbe, Felix Kraus, Mirco Panighel, Richard Thelen, Davide Valentinis   +8 more
wiley   +1 more source

Structural optimization of drug molecules with incrementally trained language models. [PDF]

Nat Commun
Hörmann T, Mayer D, Lewandowski M, Hunklinger A, Wein T, Merk D.   +5 more
europepmc   +1 more source

Slip Localization Intensification Mediated by Grain Boundary Sliding in a Polycrystalline Nickel‐Based Superalloy

Advanced Engineering Materials, EarlyView.
The temperature dependence of fatigue behavior in nickel‐based superalloys is investigated through high‐resolution measurements of plastic localization. While increasing temperature reduces localization and enhances fatigue performance in René 88DT, Inconel 718 exhibits a sharp degradation at intermediate temperature due to intensified slip ...
M. Calvat, D. Anjaria, I. Woo, C. Bean, D. Texier, J. C. Stinville   +5 more
wiley   +1 more source

Inferring circRNA-Disease Associations via Sparse Topological Representation Learning and Dual-View Decoding. [PDF]

Int J Mol Sci
Liu CC, Wei MM, Lu MS, Wang L.
europepmc   +1 more source

Fatigue Crack Initiation and Growth in Nanocrystalline Ni at Multiple Length‐Scales

Advanced Engineering Materials, EarlyView.
Overview of miniaturized in situ SEM fatigue setup and resultant fatigue crack growth data for nanocrystalline Ni. The presented study focuses on the analysis of fatigue crack growth rate (FCGR) in focused ion beam‐notched microcantilevers prepared from nanocrystalline (NC) Ni as a model material.
Igor Moravcik, Alexander Jelinek, Markus Alfreider, Jutta Luksch, Anton Hohenwarter, Florian Schaefer, Christian Motz, Daniel Kiener   +7 more
wiley   +1 more source

FLOWR: flow matching for structure-aware de novo, interaction- and fragment-based ligand generation. [PDF]

Nat Comput Sci
Cremer J, Irwin R, Tibo A, Janet JP, Olsson S, Clevert DA.   +5 more
europepmc   +1 more source

High‐Temperature Nanoindentation of Metals: Assessing Thermal Drift, Frame Compliance, and Chemical Composition Effects on the Reported Mechanical Properties

Advanced Engineering Materials, EarlyView.
Do not let thermal drift and instrument artifacts deceive high‐temperature nanoindentation results. We compare classical Oliver–Pharr and automatic image recognition analyses across steels and a Ni alloy to quantify these effects. Accounting for artifacts reveals systematic softening with temperature, while Cr and Ni additions boost resistance ...
Velislava Yonkova, Steffen Brinckmann, Ruth Schwaiger   +2 more
wiley   +1 more source

Protocol update to: Protocol to generate dual-target compounds using a transformer-based chemical language model. [PDF]

STAR Protoc
Srinivasan S, Bajorath J.
europepmc   +1 more source