Results 181 to 190 of about 436,258 (285)

Accelerating Primary Screening of USP8 Inhibitors from Drug Repurposing Databases with Tree‐Based Machine Learning

Advanced Intelligent Discovery, EarlyView.
This study introduces a tree‐based machine learning approach to accelerate USP8 inhibitor discovery. The best‐performing model identified 100 high‐confidence repurposable compounds, half already approved or in clinical trials, and uncovered novel scaffolds not previously studied. These findings offer a solid foundation for rapid experimental follow‐up,
Yik Kwong Ng, Sharon Ai Er Lam, Wei Chun Lim, Hannah Hui Min Toh, Shi Jun Ang   +4 more
wiley   +1 more source

Following the Committor Flow: A Data-Driven Discovery of Transition Pathways. [PDF]

J Chem Theory Comput
Giuseppe Chen C, Tang C, Megías A, Talmazan RA, Contreras Arredondo S, Roux B, Chipot C.   +6 more
europepmc   +1 more source

Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion

Advanced Intelligent Discovery, EarlyView.
This review highlights recent advances in supervised machine learning (ML) for photocatalysis, emphasizing methods to optimize photocatalyst properties and design materials for solar‐driven water splitting and CO2 reduction. Key applications, challenges, and future directions are discussed, offering a practical framework for integrating ML into the ...
Paul Rossener Regonia, Christian Mark Pelicano   +1 more
wiley   +1 more source

C2M-Mamba: drug-drug interaction prediction based on cross-modal cross-Mamba. [PDF]

BMC Bioinformatics
Zhang S, Zhang C, Wang D.
europepmc   +1 more source

Advancing Efficient Error Reduction in DNA Data Storage Systems with Deep Learning‐Based Denoising Models

Advanced Intelligent Discovery, EarlyView.
Deep learning‐based denoising models are applied to DNA data storage systems to enhance error reduction and data fidelity. By integrating DnCNN with DNA sequence encoding methods, the study demonstrates significant improvements in image quality and correction of substitution errors, revealing a promising path toward robust and efficient DNA‐based ...
Seongjun Seo, Anshula Tandon, Nguyen Kim Uyen, Quoc Nam Le, Jee‐Hyong Lee, Sung Ha Park   +5 more
wiley   +1 more source

The Hitchhiker's Guide to the Surface Code. [PDF]

Entropy (Basel)
Zhang F, Chen J.
europepmc   +1 more source

A Unifying Approach to Self‐Organizing Systems Interacting via Conservation Laws

Advanced Intelligent Discovery, EarlyView.
The article develops a unified way to model and analyze self‐organizing systems whose interactions are constrained by conservation laws. It represents physical/biological/engineered networks as graphs and builds projection operators (from incidence/cycle structure) that enforce those constraints and decompose network variables into constrained versus ...
F. Barrows, G. Zhang, S. Anand, Z. Chen, J. Lin, A. Desai, S. Martiniani, F. Caravelli   +7 more
wiley   +1 more source

A multimodal dataset of causal mechanisms in materials science literature. [PDF]

Sci Data
Liu Y, Wang C, Liu J, Shi X, Huang Y, Cheng Q, Lu W.   +6 more
europepmc   +1 more source

Cell Segmentation Beyond 2D—A Review of the State‐of‐the‐Art

Advanced Intelligent Discovery, EarlyView.
Cell segmentation underpins many biological image analysis tasks, yet most deep learning methods remain limited to 2D despite the inherently 3D nature of cellular processes. This review surveys segmentation approaches beyond 2D, comparing 2.5D and fully 3D methods, analyzing 31 models and 32 volumetric datasets, and introducing a unified reference ...
Fabian Schmeisser, Haseeb Muhammad, Junaid Younas, Gillian Lovell, Bianca Migliori, Andreas Dengel, Sheraz Ahmed   +6 more
wiley   +1 more source

The Potential of <i>Thymus zygis</i> L. (Thyme) Essential Oil Coating in Preventing Vulvovaginal Candidiasis on Intrauterine Device (IUD) Strings. [PDF]

Pharmaceutics
Sahal G, Donmez HG, Woerdenbag HJ, Taner A, Beksac MS.   +4 more
europepmc   +1 more source