Results 181 to 190 of about 16,374 (240)

Autonomous AI‐Driven Design for Skin Product Formulations

open access: yesAdvanced Intelligent Discovery, EarlyView.
This review presents a comprehensive closed‐loop framework for autonomous skin product formulation design. By integrating artificial intelligence‐driven experiment selection with automated multi‐tiered assays, the approach shifts development from trial‐and‐error to intelligent optimisation.
Yu Zhang   +5 more
wiley   +1 more source

Uncertainty‐Guided Selective Adaptation Enables Cross‐Platform Predictive Fluorescence Microscopy

open access: yesAdvanced Intelligent Discovery, EarlyView.
Deep learning models often fail when transferred to new microscopes. A novel framework overcomes this by selectively adapting the early layers governing low‐level image statistics, while freezing deep layers that encode morphology. This uncertainty‐guided approach enables robust, label‐free virtual staining across diverse systems, democratizing ...
Kai‐Wen K. Yang   +9 more
wiley   +1 more source

Large‐Scale Machine Learning to Screen for Small‐Molecule Senolytics

open access: yesAdvanced Intelligent Discovery, EarlyView.
A consistent workflow underpins all experiments in this study. A dedicated model‐selection dataset first identifies optimal hyperparameters for each algorithm. Models are then trained and rigorously evaluated on independent sets of molecules using the senolytic ratio SR. Comprehensive hyperparameter exploration across SMILES representations, task types,
Alexis Dougha   +2 more
wiley   +1 more source

Accelerating Discovery of Organic Molecular Crystals via Materials Informatics and Autonomous Experiments

open access: yesAdvanced Intelligent Discovery, EarlyView.
Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi   +2 more
wiley   +1 more source

Artificial Intelligence‐Driven Network Pharmacology: A Methodological Paradigm Shift Bridging Traditional Wisdom and Modern Science

open access: yesAdvanced Intelligent Discovery, EarlyView.
Artificial intelligence is redefining network pharmacology (NP). By integrating knowledge graph engineering, geometric deep learning, multiomics anchoring, and generative reasoning, AI‐driven NP (AI‐NP) transforms static target mapping into dynamic, predictive modeling.
Cong Wang   +9 more
wiley   +1 more source

Spin-Adapted Restricted Open-Shell Hartree-Fock and Its Dynamic Correlation Extension. [PDF]

open access: yesJ Chem Theory Comput
Song M   +4 more
europepmc   +1 more source

Temperature‐Tunable Cholesteric Liquid Crystal Optical Combiners for Extended Reality Applications

open access: yesAdvanced Intelligent Systems, Volume 7, Issue 3, March 2025.
Recent advancements in extended reality highlight their potential to enhance traditional displays like liquid crystal displays and organic light‐emitting diode screens. This article introduces an innovative cholesteric liquid crystal‐based optical combiner for head‐mounted displays, enabling seamless transitions between augmented reality, virtual ...
Yuanjie Xia   +6 more
wiley   +1 more source

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