Results 161 to 170 of about 6,303,129 (314)
A literature review of fault diagnosis based on ensemble learning
Zhibao Mian +6 more
semanticscholar +1 more source
Generating Dynamic Structures Through Physics‐Based Sampling of Predicted Inter‐Residue Geometries
While static structure prediction has been revolutionized, modeling protein dynamics remains elusive. trRosettaX2‐Dynamics is presented to address this challenge. This framework leverages a Transformer‐based network to predict inter‐residue geometric constraints, guiding conformation generation via physics‐based iterative sampling. The resulting method
Chenxiao Xiang +3 more
wiley +1 more source
Ensemble learning approach with explainable AI for improved heart disease prediction. [PDF]
Adekoya A, Saeed F, Ghaban W, Qasem SN.
europepmc +1 more source
This study constructed the first D‐amino acid antimicrobial peptide dataset and developed an AI model for efficient screening of substitution sites, with 80% of candidate peptides showing enhanced activity. The lead peptide dR2‐1 demonstrated potent antimicrobial activity in vitro and in vivo, high stability, and low toxicity.
Yinuo Zhao +14 more
wiley +1 more source
Vocal features based Parkinson's detection: An ensemble learning approach. [PDF]
Chakole M +5 more
europepmc +1 more source
Hierarchical Embedded Sphere Model combines DFT and interpretable machine learning to decode catalytic activity on TM‐doped MO2. It disentangles global electronic, active‐site, and local coordination effects, revealing two activation mechanisms: dopant‐driven (Rh@MO2) and coordination‐mediated (Fe@ZrO2).
Ziyuan Li +5 more
wiley +1 more source
An Adaptive Deep Ensemble Learning for Specific Emitter Identification. [PDF]
Shang P +5 more
europepmc +1 more source
Achieving Chemical Accuracy in Cyclodextrin Host–Guest Binding via Integrative Atomistic Modelling
A generalizable computational framework is presented that overcomes long‐standing challenges in modelling cyclodextrin host‐guest binding by integrating host‐specific force‐field refinement, equilibrium enhanced sampling, nonequilibrium alchemical switching, convolution sampling of independent works, rigorous finite‐size corrections, and QM‐based ...
Xiaohui Wang +7 more
wiley +1 more source
Ensemble learning prediction model for intraoperative hemodynamic instability in patients with pheochromocytoma. [PDF]
Liu Y +11 more
europepmc +1 more source
Solution structures of a series of cyclic lipodepsipeptides from Pseudomonas reveal that these specialized metabolites adopt left‐handed alpha helical conformations of only two types, being either ‘stapled’ or ‘catch‐pole’ helix. The particular modular distribution of the biosynthetic gene clusters is found to determine the extent of their conserved ...
Benjámin Kovács +9 more
wiley +1 more source

