Results 171 to 180 of about 848,049 (294)

Splitting vertices of bipartite graphs preserves de Bruijn-Erdős property

In this note, we prove that every graph obtained from a bipartite graph by iteratively splitting vertices into two adjacent twins has the de Bruijn-Erdős ...
Beaudou, Laurent, Gamboa Quintero, Guillermo   +1 more
core   +1 more source

A Computational Workflow Integrating Explainable AI and Database Mining for the Prioritization of Antimicrobial Natural Products. [PDF]

Molecules
Guzzi PH, Defilippo A, Veltri P, Ceccarelli G, Scarpa F, Ciccozzi M, Branda F.   +6 more
europepmc   +1 more source

Toward High‐Resolution Polymeric Neural Interfaces: A Practical Guide for Electron Beam Lithography

Advanced Science, EarlyView.
Electron beam lithography (EBL) enables sub‐micron patterning of polymer‐based neural implants, overcoming the resolution limits of optical lithography. By addressing challenges such as charging, non‐planarity, and substrate heating, it supports higher channel density, improved miniaturization, and better long‐term tissue integration.
Hanna Karlsson‐Fernberg, Maria Asplund
wiley   +1 more source

Global descriptors informed learning for organic melting-point prediction. [PDF]

RSC Adv
Pu X, Meng YS, Liu T.
europepmc   +1 more source

Artificial Intelligence‐Guided Phenotypic Drug Repurposing Against Streptococcus pneumoniae

Advanced Science, EarlyView.
Integrated artificial intelligence (AI) ensembles identify highly potent repurposed drugs against Streptococcus pneumoniae. Prospective virtual screening of 6747 drugs uncovers nine active candidates, including thiostrepton. This drug exhibits low picomolar potency and bypasses established resistance in multidrug‐resistant strains, demonstrating an ...
Joshua S. Fitch, Muhammad D. Ariadi, Min Jung Kwun, Leonie Howells, Saiveth Hernandez‐Hernandez, Nicholas J. Croucher, Pedro J. Ballester   +6 more
wiley   +1 more source

Benchmarking molecular representations and machine learning algorithms for asymmetric catalysis: a palladium-catalysed decarboxylative asymmetric allylic alkylation case study. [PDF]

J Cheminform
Aguilar-Bejarano E, Galvin D, Rogers DM, Özcan E, Woodward S, Guiry PJ, Figueredo G.   +6 more
europepmc   +1 more source

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

Advanced 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, Ahmadreza Argha, Nona Farbehi, Ivan Bakhshayeshi, Thantrira Porntaveetus, Youqiong Ye, Nigel H. Lovell, Hamid Alinejad‐Rokny   +7 more
wiley   +1 more source

Machine Learning for RNA-Targeting Drug Design. [PDF]

J Chem Inf Model
Karroucha W, Oliver C, Stoven V, Mallet V.   +3 more
europepmc   +1 more source

Biochemically Constrained Multi‐Omics Integration Reveals Protein–Metabolite Dependencies Across Diseases

Advanced Science, EarlyView.
ProMetNet introduces a biologically constrained deep learning framework for proteo‐metabolomic integration by embedding Reactome‐derived pathway topology into neural networks. It captures non‐linear molecular dependencies and pathway‐level metabolic reorganization, enabling interpretable discrimination.
Minghui Zhao, Na Zhou, Ruotong Liu, Xiaofei Li, Jian Li, Fuzhong Xue, Qingzhen Hou   +6 more
wiley   +1 more source

Genome-wide-scale prediction of compound-protein interactions using foundation and language models based on three-dimensional structures of compounds and proteins. [PDF]

Bioinformatics
Moriyama Y, Matsukiyo Y, Kimura T, Yamamoto H, Sakajiri Y, Shibata T, Sawada R, Yamanishi Y.   +7 more
europepmc   +1 more source