Results 131 to 140 of about 26,665 (263)

CLRe: A Synergistic Dual‐Engine Framework for One‐Step Retrosynthesis Prediction

open access: yesAdvanced Science, EarlyView.
CLRe uses a contrastive difficulty score to order pretrained seq2seq fine‐tuning for retrosynthesis. Reaction embeddings define the ranking score, and a cumulative easy‐to‐hard schedule expands from the easiest subset to the full training set while earlier examples remain active.
Tianhao Su   +5 more
wiley   +1 more source

Lipidomic Profile Reconstruction of Therapeutic Membrane Targets Using Physics‐Based Optimization with Limited Activity Data

open access: yesAdvanced Science, EarlyView.
Using a minimal set of experimentally labeled antimicrobial and non‐antimicrobial peptides, we reconstruct the effective lipid composition of a pathogenic membrane ‐demonstrated at the example of bacterial membranes‐ through a physics‐based evolutionary molecular dynamics (Evo‐MD) approach. Optimization based on peptide insertion reveals broad‐spectrum
Maximilian Krebs, Herre Jelger Risselada
wiley   +1 more source

Optimal Harvesting in Stream Networks: Maximizing Biomass and Yield. [PDF]

open access: yesBull Math Biol
Nguyen TD   +5 more
europepmc   +1 more source

Voltage‐Driven Non‐Volatile Interconversion Between Giant Single‐Domain and Multidomain Magnetic States in a Multiferroic Heterostructure

open access: yesAdvanced Science, EarlyView.
Non‐volatile voltage control of magnetic configurations is achieved in a strain‐coupled multiferroic heterostructure. Voltage pulses reversibly interconvert giant single‐domain and multidomain magnetic states, which remain stable at zero applied voltage. ABSTRACT Voltage control of magnetic states in multiferroic heterostructures represents a promising
M. Ghidini   +11 more
wiley   +1 more source

TSTScope Unifies Single‐Cell Multi‐Omics to Identify Functional T Cell States Predictive of Immunotherapy Response

open access: yesAdvanced Science, EarlyView.
TSTScope is an interpretable AI framework that integrates single‐cell transcriptomes with TCR information through curated gene‐program constraints. By linking receptor context to functional T cell states, it reveals response‐associated tumor‐specific T cell programs in lung cancer immunotherapy cohorts and defines an MPR score associated with ...
Shiwei Cao   +8 more
wiley   +1 more source

SemanticST: A Scalable Multi‐Contextual Graph Learning Framework for Uncovering Spatial Niches and Robust Multi‐Sample Integration in Spatial Transcriptomics

open access: yesAdvanced Science, EarlyView.
Technical limitations often let dominant signals overshadow rare cell types and fine‐grained heterogeneity in spatial transcriptomics. SemanticST, a graph neural network using multi‐semantic graph fusion and a novel min‐cut loss, recovers these subtle patterns.
Roxana Zahedi   +7 more
wiley   +1 more source

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