Results 101 to 110 of about 527,719 (327)

DualPG‐DTA: A Large Language Model‐Powered Graph Neural Network Framework for Enhanced Drug‐Target Affinity Prediction and Discovery of Novel CDK9 Inhibitors Exhibiting in Vivo Anti‐Leukemia Activity

open access: yesAdvanced Science, EarlyView.
This study introduces DualPG‐DTA, a framework integrating two pre‐trained models to generate molecular and protein representations. It constructs dual graphs processed by specialized neural networks with dynamic attention for feature fusion, achieving superior benchmark performance.
Yihao Chen   +7 more
wiley   +1 more source

THA-surfaces in 3-dimensional Euclidean space

open access: yesAsia Pacific Journal of Mathematics, 2021
Bendehiba Senoussi   +2 more
doaj   +1 more source

Comment on “De Novo Reconstruction of 3D Human Facial Images from DNA Sequence”

open access: yesAdvanced Science, EarlyView.
This comment examines AI‐driven DNA‐based facial reconstruction, focusing on the Difface model. While such technologies promise biomedical and forensic applications, they pose significant ethical, legal, and methodological challenges. We emphasize transparency, benchmarking, and rigorous validation to avoid misinterpretation and misuse.
Jennifer K. Wagner   +3 more
wiley   +1 more source

Learned Conformational Space and Pharmacophore Into Molecular Foundational Model

open access: yesAdvanced Science, EarlyView.
The Ouroboros model introduces two orthogonal modules within a unified framework that independently learn molecular representations and generate chemical structures. This design enables flexible optimization strategies for each module and faithful structure reconstruction without prompts or noise.
Lin Wang   +8 more
wiley   +1 more source

Euclidean hypersurfaces isometric to spheres

open access: yesAIMS Mathematics
Given an immersed hypersurface $ M^{n} $ in the Euclidean space $ E^{n+1} $, the tangential component $\boldsymbol{\omega }$ of the position vector field of the hypersurface is called the basic vector field, and the smooth function of the normal ...
Yanlin Li   +3 more
doaj   +1 more source

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