Results 181 to 190 of about 136,242 (232)

AS‐pHopt: An Optimal pH Prediction Model Enhanced by Active Site of Enzymes

open access: yesAdvanced Intelligent Discovery, EarlyView.
To address the low accuracy of enzyme optimal pH (pHopt) prediction, this study develops active site‐based pHopt (AS‐pHopt), a prediction model enhanced by active site information and pseudo‐label prediction. Integrating key structural and physicochemical features affecting enzyme pHopt, AS‐pHopt uses Evolutionary Scale Modeling (ESM)‐2 with active ...
Wenxiang Song   +6 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

Bayesian Optimisation for the Experimental Sciences: A Practical Guide to Data‐Efficient Optimisation of Laboratory Workflows

open access: yesAdvanced Intelligent Systems, EarlyView.
This study provides an introduction to Bayesian optimisation targeted for experimentalists. It explains core concepts, surrogate modelling, and acquisition strategies, and addresses common real‐world challenges such as noise, constraints, mixed variables, scalability, and automation.
Chuan He   +2 more
wiley   +1 more source

Optimizing 3D Bin Packing of Heterogeneous Objects Using Continuous Transformations in SE(3)

open access: yesAdvanced Intelligent Systems, EarlyView.
This article presents a method for solving the three‐dimensional bin packing problem for heterogeneous objects using continuous rigid‐body transformations in SE(3). A heuristic optimization framework combines signed‐distance functions, neural network approximations, point‐cloud bin modeling, and physics simulation to ensure feasibility and stability ...
Michele Angelini, Marco Carricato
wiley   +1 more source

Sleep Health Dimensions From Wearables and Transdiagnostic Mental Health in Young Adolescents. [PDF]

open access: yesJAMA Pediatr
Cooper RE   +9 more
europepmc   +1 more source

MusicSwarm: Biologically Inspired Intelligence for Music Composition

open access: yesAdvanced Intelligent Systems, EarlyView.
Biologically inspired swarms of frozen foundation models self‐organize to compose complex music without fine‐tuning. By coordinating through stigmergic signals, decentralized agents dynamically evolve specialized roles and adapt to solve complex tasks.
Markus J. Buehler
wiley   +1 more source

Automated elucidation of crystal and electronic structures in boron nitride from X-ray absorption spectra using uniform manifold approximation and projection. [PDF]

open access: yesSci Rep
Hasegawa R   +9 more
europepmc   +1 more source

An Intelligent Feature Engineering‐Driven Hybrid Framework for Adversarial Domain Name System Tunneling Detection

open access: yesAdvanced Intelligent Systems, EarlyView.
This study presents a novel framework that enhances the reliability of DNS traffic monitoring using a hybrid long short‐term memory‐deep neural network (LSMT‐DNN) architecture, enabling robust detection of adversarial DNS tunneling. The proposed framework leverages feature extraction from DNS traffic patterns, including domain request sequences, query ...
Ahmad Almadhor   +5 more
wiley   +1 more source

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