Results 161 to 170 of about 5,500,658 (253)

Bridging Chemical Literature and Molecular Graphs: LLM‐Augmented Enantioselectivity Prediction for Iridium‐Catalyzed Asymmetric C–H Borylation

open access: yesAdvanced Science, EarlyView.
A machine‐learning framework for asymmetric C–H borylation bridges multi‐entity 3D molecular graphs and chemical literature. Atom‐resolved mechanistic annotations extracted by large language models augment three‐component graph encoding of catalyst, substrate, and product. The model predicts enantioselectivity with high accuracy on unseen scaffolds and
Zhe Wang   +4 more
wiley   +1 more source

Hardware Acceleration of Stochastic Neural Networks Enabled by Bit‐Cell Level Co‐Design of Magnetic Tunnel Junctions

open access: yesAdvanced Science, EarlyView.
An MTJ‐based probabilistic processing‐in‐memory architecture unites nonvolatile storage, local entropy generation, and stochastic computation within each memory cell. Stored multi‐bit weights are converted directly into programmable stochastic bitstreams, enabling neural‐network inference, adaptive Ising optimization, and uncertainty‐aware Bayesian ...
Qiuyuan Wang   +6 more
wiley   +1 more source

Mechanism‐Informed Language Modeling and Oxygenated 3D Screening Identify Berberine–Enzalutamide Synergy in Prostate Cancer Models

open access: yesAdvanced Science, EarlyView.
By integrating knowledge‐augmented artificial intelligence with an oxygen‐supplemented 3D screening platform, a synergistic interaction between berberine and enzalutamide is identified. The framework integrates compound mechanisms of action with disease‐relevant signaling context to prioritize candidate combinations and generate testable pathway‐based ...
Chih‐Hui Lo   +15 more
wiley   +1 more source

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