Results 21 to 30 of about 8,432 (220)

Revisiting Target‐Aware de novo Molecular Generation with TarPass: Between Rational Design and Texas Sharpshooter

Advanced Science, EarlyView.
TarPass provides a rigorous benchmark for target‐aware de novo molecular generation by jointly evaluating protein‐ligand interactions, molecular plausibility, and drug‐likeness on 18 well‐studied targets. Results show that current models often fail to consistently surpass random baseline in target‐specific enrichment, while post hoc multi‐tier virtual ...
Rui Qin, Zijie Chen, Yurong Li, Meijing Fang, Longji Shen, Yilong Su, Odin Zhang, Qinghan Wang, Qun Su, Jike Wang, Tingjun Hou, Yu Kang   +11 more
wiley   +1 more source

Combining Spatial Multi‐Omics Data to Decipher Spatial Domains and Elucidate Cell Heterogeneity Based on Self‐Supervised Graph Learning

Advanced Science, EarlyView.
A self‐supervised multi‐view graph fusion framework integrates spatial multi‐omics, excelling in domain identification and denoising. It reconstructs spatial pseudo‐expression, jointly analyzes multi‐omics data, infers RNA velocity, predicts spatial omics features from single‐cell multi‐omics, and detects spatially dark genes and transcription factors,
Yuejing Lu, Rui Qiao, Ying Li, Junhong Li, Nuoya Yue, Jing Ge, Jiao Wang, Luonan Chen, Peiluan Li   +8 more
wiley   +1 more source

ProSiteHunter: A Unified Framework for Sequence‐Based Prediction of Protein‐Nucleic Acid and Protein‐Protein Binding Sites

Advanced Science, EarlyView.
This study proposed a unified sequence‐based framework for protein binding site prediction, which adopted a tri‐track semantic multi‐source feature fusion strategy to effectively capture diverse macromolecular interaction sites and further improved the accuracy of antibody‐antigen interaction prediction.
Dongliang Hou, Qihang Zhen, Zexin Lv, Xinyue Cui, Suhui Wang, Minghua Hou, Zhan Zhou, Xiaogen Zhou, Guijun Zhang   +8 more
wiley   +1 more source

A Phase‐Resolved Geometric Deep Learning Framework Maps Structural Determinants of Disease‐Associated Protein Aggregation and Guides Suppressor Design

Advanced Science, EarlyView.
SKALE 2.0 maps disease‐associated protein aggregation as a phase‐resolved structural process, linking mutation‐induced geometric perturbations to nucleation, elongation, and suppressor design. Across neurodegenerative proteins, the framework reveals cryptic aggregation vulnerabilities, separates phase‐concordant and phase‐switching mutations, and ...
Jia Shen Sio, Wei Xuan Wilson Loo, Yan Shan Loo, Wen Xin Tan, Hui Xuan Lim, Huitao Liu, Chen Seng Ng   +6 more
wiley   +1 more source

Sufficient dimension reduction for the conditional mean with a categorical predictor in multivariate regression

, 2008
Recent sufficient dimension reduction methodologies in multivariate regression do not have direct application to a categorical predictor. For this, we define the multivariate central partial mean subspace and propose two methodologies to estimate it. The
Yoo, Jae Keun
core   +1 more source

Approximate entropy and auto mutual information analysis of the electroencephalogram in Alzheimer's disease patients [PDF]

, 2008
We analysed the electroencephalogram (EEG) from Alzheimer's disease (AD) patients with two nonlinear methods: approximate entropy (ApEn) and auto mutual information (AMI).
Gomez, C., Escudero, J.; id_orcid, Espino, P., Hornero, R., Abasolo, D.   +4 more
core   +1 more source

Causal‐Guided Ultra‐Long‐Term Time Series Forecasting Via Anticipated Covariates

Advanced Science, EarlyView.
Often treated as unknown, information from the future remains underutilized.We demonstrate that in a coupled dynamical system, providing the future state of the effect enables accurate forecasting of the cause for a long timesteps. A time series forecasting paradigm that introduces anticipated covariates to represent such known future states is ...
Jintong Zhao, Yufei Liu, Ruixi Huang, Zhongxue Gan, Siyang Leng   +4 more
wiley   +1 more source

METRIC LEARNING VIA CROSS-VALIDATION

, 2022
In this paper, we propose a cross-validation metric learning approach to learn a distance metric for dimension reduction in the multiple-index model.
Lin, Yuanyuan, Li, Gang, Chen, Kani, Dai, Linlin   +3 more
core   +1 more source

Terahertz Channel Modeling, Estimation and Localization in RIS‐Assisted Systems

Advanced Electronic Materials, EarlyView.
Reconfigurable intelligent surfaces have become a recent intensive research focus. Based on practical applications, channel strategies for RIS‐assisted terahertz wireless communication systems are categorized into three different types: channel modeling, channel estimation, and channel localization.
Hongjing Wang, Weipeng Wang, Xuan Cong, Shiyu Wang, Gao Li, Sen Gong, Lin Huang, Hongxin Zeng, Yaxin Zhang, Ziqiang Yang   +9 more
wiley   +1 more source

Four-dimensional ensemble variational data assimilation and the unstable subspace

, 2017
International audienceThe performance of (ensemble) Kalman filters used for data assimilation in the geosciences critically depends on thedynamical properties of the evolution model.Akey aspect is that the error covariance matrix is asymptotically ...
Bocquet, Marc, Carrassi, Alberto, Marc Bocquet, Alberto Carrassi   +3 more
core   +1 more source