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
Characteristics, Assembly Processes and Stability of Bacterial Communities in Aquatic-Terrestrial Ecotone: A Case Study of Danjiangkou Reservoir, China. [PDF]
Lyu X +8 more
europepmc +1 more source
Superlattice Architectures for Advancing Photothermal Catalysis: Mechanisms and Applications
This paper provides a timely overview of superlattice architectures in photothermal catalysis, with a systematic review on mechanisms at both atomic and macroscopic scales in different processes, challenges, and future opportunities. ABSTRACT Photothermal catalysis has emerged as a powerful strategy to complement photocatalysis by harnessing full ...
Yuzhao Wu +5 more
wiley +1 more source
Reinforcement learning-based control co-design of digital twin-enabled full-vehicle active suspension systems. [PDF]
Tsai YK, Chen YP, Karkaria V, Chen W.
europepmc +1 more source
Inhibitory Decay and Supercritical Brain Dynamics During Sleep Deprivation
Sleep deprivation progressively shifts human brain dynamics from near‐critical toward supercritical states, as revealed by neuronal avalanche analysis of resting‐state fMRI. These changes track subjective sleep pressure rather than vigilance lapses and show marked network heterogeneity. A circuit model suggests that reduced inhibitory efficacy provides
Dai Zhang +6 more
wiley +1 more source
Nonlinear control of quadrotor UAV under rotor failure for robust trajectory tracking. [PDF]
Simha A, Ambroziak L.
europepmc +1 more source
MarginPath is a novel vision‐language system that automates breast cancer margin assessment using a single label‐free multiphoton microscopy image. By integrating tumor‐associated collagen signatures with virtual H&E imaging, it generates accurate margin heatmaps and comprehensive diagnostic reports.
Shu Wang +15 more
wiley +1 more source
Dynamic decision-making and differential game analysis of ESG-constrained closed-loop supply chains under cap-and-trade regulation. [PDF]
Lan H, Si X, Li X, Tang J.
europepmc +1 more source
A Data‐Driven Inverse Design Methodology for Magnetic Soft Millirobots Navigating in Confined Spaces
A data‐efficient inverse design framework automates the optimization of magnetic soft millirobots for confined‐space navigation. Integrating a physics‐based Cosserat rod model with Bayesian optimization efficiently identifies high‐performance geometries.
Ziyu Ren +5 more
wiley +1 more source
Modeling the Effects of Gap Cuts on Stand-Level Resilience in Financial and Carbon Sequestration Contexts. [PDF]
Fibich J +4 more
europepmc +1 more source

