Results 121 to 130 of about 3,555 (297)
Advanced Science, EarlyView.SMarT‐Diff introduces a multi‐objective generative paradigm that integrates scaffold hopping with structure‐aware scoring to enable controlled exploration beyond the training distribution. The framework consistently balances drug‐likeness, synthesizes accessibility and bioactivity, yielding chemically diverse candidates with enhanced properties.
Yuwei Yang +8 more
wiley +1 more source
Advanced Science, EarlyView.Strong‐yet‐ductile precipitation‐hardening alloys require novel microstructural complexity of precipitates in particularly at cryogenic condition, to constantly impart strain hardening of hard‐and‐brittle precipitates. The present work creates innovative structurally complex precipitates assembled with dispersed nanocores and a chemical‐heterogeneity ...
Shaohua Gao +9 more
wiley +1 more source
Advanced Science, EarlyView.This review explores the convergence of artificial intelligence technologies in modeling drug–drug and drug–target interactions. By evaluating advanced feature engineering, architectural innovations, and learning paradigms reveals shared evolutionary trends and critical challenges, such as cold‐start settings and shortcut learning.
Xin Sun, Tong Wang
wiley +1 more source
Extension of substructuring technique in the nonlinear domain
, 2018 Conventional finite element models based on substructures allow only linear analysis. Some load-bearing structures such as energy absorbers and impact attenuators are designed to perform their useful functions in the nonlinear domain.
Mladenko Kajtaz (18030187)
core
Extending Broyden's method to interaction problems
Journal of Numerical Analysis and Approximation Theory, 2008 The solution of problems involving the interaction of different systems is a domain of ongoing research, although often a good solver already exists for each system separately.
Robby Haelterman +3 more
doaj +2 more sources
Advanced Science, EarlyView.We developed the ASCAL pipeline, integrating complementary spatial transcriptomics, to construct a high‐fidelity mouse whole‐eye single‐cell atlas. Applying ASCAL to a retinal artery occlusion (RAO) model revealed spatially restricted immune activation localized to the ganglion cell layer and the selective depletion of a translationally active, outer ...
Chen Du +11 more
wiley +1 more source
Dynamic disturbance substructuring: identifying localized nonlinear vibrations
, 2022 In this work, the novel approach Dynamic disturbance (Dydis) substructuring is introduced, and the concept is demonstrated, first on a linear system and then on a simple nonlinear system.
Brøns, M., Rixen, D. J.
core
Contact problems in the framework of dynamic substructuring
, 2018 Typical applications of dynamic substructuring deal with time-invariant systems. An interesting extension of the dynamic substructuring can be to consider, among time-variant systems, those built from time-invariant component subsystems subjected to time-
Brunetti, J. +2 more
core +1 more source
Virtual product development process for reducing noise, vibration, and harshness of vehicle based on substructuring and artificial neural network. [PDF]
Sci Rep, 2022 Kim Y, Jeong UC.
europepmc +1 more source
Automated Extraction of Multicomponent Alloy Data Using Large Language Models for Sustainable Design
Advanced Science, EarlyView.A large language model (LLM) based pipeline is developed to automatically extract a comprehensive and accurate multicomponent alloy database from literature corpus. The extracted dataset is integrated with sustainability indicators to identify potential alloys that outperform existing industrial benchmark materials in terms of both performance and ...
Aravindan Kamatchi Sundaram +4 more
wiley +1 more source