Results 141 to 150 of about 495,115 (315)

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

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

Accelerating Euclidean Distance Transforms: A Fast and Flexible Approach With Multi-Vendor GPU, Multi-Threading, and Multi-Language Support

open access: yesIEEE Access
Euclidean distance transforms are fundamental in image processing and computer vision, with critical applications in medical image analysis and computer graphics.
Dale Black   +3 more
doaj   +1 more source

Loss of SOCS1 in Donor T Cells Exacerbates Intestinal GVHD by Driving a Chemokine‐Dependent Pro‐Inflammatory Immune Microenvironment

open access: yesAdvanced Science, EarlyView.
T cell‐specific Socs1 knockout leads to inflammatory differentiation of CD8+ T cells, prompting the STAT1/2 complex to drive the activation of Ccl5, Ccr5, and Cxcr3, and promoting the skewing of monocytes toward a pro‐inflammatory M1 macrophage lineage.
Zhigui Wu   +14 more
wiley   +1 more source

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