中国科学院机构知识库网格
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Spectral encoder to extract the efficient features of Raman spectra for reliable and precise quantitative analysis
期刊论文
OAI收割
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2024, 卷号: 312
作者:
Gao, Chi
;
Fan, Qi
;
Zhao, Peng
;
Sun, Chao
;
Dang, Ruochen
  |  
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2024/04/08
Raman spectroscopy
Quantitative analysis
Deep learning
Spectral encoder
Feature extraction
Enzymatic Synthesis of Noncanonical α-Amino Acids Containing γ-Tertiary Alcohols
期刊论文
OAI收割
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2024, 页码: 9
作者:
Zhang, Rui
;
Zhang, Chenghua
;
Tan, Jiamu
;
He, Yifan
;
Zhuo, Dan
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2024/02/27
Asymmetric Synthesis
Biocatalysis
Noncanonical Amino Acids
Quantum Chemical Calculations
Tertiary Alcohols
D3Rings: A Fast and Accurate Method for Ring System Identification and Deep Generation of Drug-Like Cyclic Compounds
期刊论文
OAI收割
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2024, 卷号: 64, 期号: 3, 页码: 724-736
作者:
Ma, Minfei
;
Zhang, Xinben
;
Zhou, Liping
;
Han, Zijian
;
Shi, Yulong
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2024/03/13
Enhancing geometric representations for molecules with equivariant vector-scalar interactive message passing
期刊论文
OAI收割
NATURE COMMUNICATIONS, 2024, 卷号: 15, 期号: 1, 页码: 13
作者:
Wang, Yusong
;
Wang, Tong
;
Li, Shaoning
;
He, Xinheng
;
Li, Mingyu
  |  
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2024/02/27
The emergence of machine learning force fields in drug design
期刊论文
OAI收割
MEDICINAL RESEARCH REVIEWS, 2024, 页码: 36
作者:
Chen, Mingan
;
Jiang, Xinyu
;
Zhang, Lehan
;
Chen, Xiaoxu
;
Wen, Yiming
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2024/02/19
computational chemistry
drug design
force field
machine learning
molecular modeling
Investigation of high enthalpy thermochemical nonequilibrium flow over spheres
期刊论文
OAI收割
PHYSICS OF FLUIDS, 2024, 卷号: 36, 期号: 1, 页码: 10
作者:
Guo, Jinghui
;
Wang XY(王小永)
;
Li, Sijia
  |  
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2024/02/26
Fusion Networks of CNN and Transformer with Channel Attention for Accurate Tumor Imaging in Magnetic Particle Imaging
期刊论文
OAI收割
BIOLOGY-BASEL, 2024, 卷号: 13, 期号: 1, 页码: 17
作者:
Shang, Yaxin
;
Liu, Jie
;
Wang, Yueqi
;
Bertrand, Helene
  |  
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2024/03/26
magnetic particle imaging
convolutional neural network
transformer
tumor imaging
accurate quantification
Element-dependent evolution of chemical short-range ordering tendency of NiCoFeCrMn under irradiation
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF PLASTICITY, 2023, 卷号: 171, 页码: 15
作者:
Zhou, Yundi
;
Shi, Tan
;
Li, Jing
;
Wu, Lu
;
Peng Q(彭庆)
  |  
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2024/01/01
High-entropy alloys
Short-range order
Molecular dynamics
Kinetic Monte Carlo
Irradiation damage
Computer modeling of thermotransport in a uniform binary liquid solution with equimolar n-alkane mixtures
期刊论文
OAI收割
PHYSICS OF FLUIDS, 2023, 卷号: 35, 期号: 11, 页码: 10
作者:
Zhong, Jun
;
Xu, Shenghua
  |  
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2023/12/18
Microfauna community assembly and cascading relationship with microflora in cropland ecosystems along a latitudinal gradient
期刊论文
OAI收割
AGRICULTURE ECOSYSTEMS & ENVIRONMENT, 2023, 卷号: 357, 页码: 13
作者:
Liu, Xiaotong
;
Zhang, Xiaoke
;
Tian, Yijia
;
Li, Yingbin
;
Du, Xiaofang
  |  
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2024/01/26
Cropland ecosystems
Soil microfauna
Community assembly
Latitudinal pattern
Soil microflora