AS‐pHopt: An Optimal pH Prediction Model Enhanced by Active Site of Enzymes
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
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
Dimensionality, reliability, invariance, and item analysis of the depression, anxiety, and stress scale-21 (DASS-21) in Honduran and Colombian university students. [PDF]
Castillo-Díaz MA, Periañez CAH.
europepmc +1 more source
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
Self-care and emotional engagement in therapeutic contexts: a predictive study of healthcare practitioners. [PDF]
Khatatbeh Y, Al-Momen S.
europepmc +1 more source
Optimizing 3D Bin Packing of Heterogeneous Objects Using Continuous Transformations in SE(3)
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]
Cooper RE +9 more
europepmc +1 more source
MusicSwarm: Biologically Inspired Intelligence for Music Composition
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]
Hasegawa R +9 more
europepmc +1 more source
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

