中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
长春应用化学研究所 [10]
福建物质结构研究所 [8]
化学研究所 [4]
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期刊论文 [43]
会议论文 [1]
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2024 [1]
2022 [1]
2020 [2]
2019 [2]
2018 [3]
2017 [1]
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Life Scien... [2]
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Graph Information Bottleneck-Based Dual Subgraph Prediction for Molecular Interactions
期刊论文
OAI收割
IEEE ACCESS, 2024, 卷号: 12, 页码: 30113-30122
作者:
Li, Lanqi
;
Dong, Weiming
  |  
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2024/07/03
Graph information bottleneck
graph neural networks
molecular interactions
Aggregation of nanoparticles and their effect on mechanical properties of carbon nanotube networks
期刊论文
OAI收割
COMPUTATIONAL MATERIALS SCIENCE, 2022, 卷号: 202, 页码: 8
作者:
Wu, Yue
;
Wang, Chao
;
Yang, Tian
;
Wang C(王超)
  |  
收藏
  |  
浏览/下载:87/0
  |  
提交时间:2022/01/12
Carbon nanotube networks
Nanoparticles
Microstructure
Mechanical properties
Coarse-grained molecular dynamics
A facile solution-phase synthetic approach for constructing phenol-based porous organic cages and covalent organic frameworks
期刊论文
OAI收割
GREEN CHEMISTRY, 2020, 卷号: 22, 期号: 8, 页码: 2498-2504
作者:
Zhang, L
;
Liang, RR
;
Hang, C
;
Wang, HY
;
Sun, L
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2021/09/06
MOLECULAR CAGE
CRYSTALLINE
WATER
ADSORPTION
NETWORKS
CARBONS
CO2
Nanoparticle Mobility within Permanently Cross-Linked Polymer Networks
期刊论文
OAI收割
MACROMOLECULES, 2020, 卷号: 53, 期号: 11, 页码: 4172-4184
作者:
Chen, Yulong
;
Ma, Rui
;
Qian, Xin
;
Zhang, Ruoyu
;
Huang, Xifu
  |  
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2020/12/16
MOLECULAR-DYNAMICS SIMULATIONS
STOKES-EINSTEIN RELATION
MODEL NETWORKS
POLYACRYLAMIDE HYDROGELS
PARTICLE DYNAMICS
NANOROD DIFFUSION
NANOCOMPOSITES
MELTS
SIZE
RELAXATION
Natural products for treating colorectal cancer: A mechanistic review
期刊论文
OAI收割
BIOMEDICINE & PHARMACOTHERAPY, 2019, 卷号: 117, 页码: UNSP 109142
作者:
Zhang, Hua
;
Zhang, Zi-kang
;
Xie, Qing
;
Yang, Zhi-jie
;
Huang, Xuan-mei
  |  
收藏
  |  
浏览/下载:61/0
  |  
提交时间:2019/09/09
Natural products
Colorectal cancer
Anti-cancer effects
Molecular mechanisms
Regulation networks
One-pot synthesis of crosslinked polymer electrolyte beyond 5V oxidation potential for all-solid-state lithium battery
期刊论文
OAI收割
JOURNAL OF POWER SOURCES, 2019, 卷号: 431, 页码: 2019-01-07
作者:
Chen, Shaojie
  |  
收藏
  |  
浏览/下载:45/0
  |  
提交时间:2019/12/18
IONIC-CONDUCTIVITY
MOLECULAR-WEIGHT
TRIBLOCK COPOLYMERS
ENERGY-STORAGE
CELL
PEO
POLYETHER
NETWORKS
DYNAMICS
Adsorbate-Induced Modification of the Confining Barriers in a Quantum Box Array
期刊论文
OAI收割
ACS NANO, 2018, 卷号: 12, 期号: 1, 页码: 768-778
作者:
Nowakowska, S
;
Mazzola, F
;
Alberti, MN
;
Song, F
;
Voigt, T
  |  
收藏
  |  
浏览/下载:40/0
  |  
提交时间:2018/09/06
Initio Molecular-dynamics
Total-energy Calculations
Augmented-wave Method
Surface-states
Temperature-dependence
Nanoporous Network
Electronic States
Chiral Networks
Hydrogen-bonds
Metal-surfaces
Novel molecular descriptors for prediction of H2S solubility in ionic liquids
期刊论文
OAI收割
JOURNAL OF MOLECULAR LIQUIDS, 2018, 卷号: 265, 页码: 756, 764
作者:
Kang, XJ
;
Qian, JG
;
Deng, J
;
Latif, U
;
Zhao, YS
  |  
收藏
  |  
浏览/下载:46/0
  |  
提交时间:2018/12/29
Molecular descriptors
HYDROGEN-SULFIDE SOLUBILITY
Ionic liquids
NEURAL-NETWORKS
H2S
GAS SOLUBILITY
Extreme learning machine
CO2
Model
SEPARATION
DIFFUSION
BIS(TRIFLUOROMETHYL)SULFONYLIMIDE
HEXAFLUOROPHOSPHATE
ABSORPTION
EXTRACTION
artificialintelligenceindrugdesign
期刊论文
OAI收割
sciencechinalifesciences, 2018, 卷号: 61, 期号: 10, 页码: 1191
作者:
Zhong Feisheng
;
Xing Jing
;
Li Xutong
;
Liu Xiaohong
;
Fu Zunyun
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2020/07/01
PROTEIN-PROTEIN-INTERACTION
MACHINE LEARNING-METHODS
COMPUTATIONAL METHODS
MOLECULAR-PROPERTIES
INTERACTION NETWORKS
NEURAL-NETWORKS
PREDICTION
DOCKING
DISCOVERY
PERMEABILITY
drug design
artificial intelligence
deep learning
QSAR
ADME/T
Improving GRN re-construction by mining hidden regulatory signals
期刊论文
OAI收割
IET SYSTEMS BIOLOGY, 2017, 卷号: 11, 期号: 6, 页码: 174-181
作者:
Shi, Ming
;
Shen, Weiming
;
Chong, Yanwen
;
Wang, Hong-Qiang
  |  
收藏
  |  
浏览/下载:51/0
  |  
提交时间:2018/08/17
Genetics
Molecular Biophysics
Biology Computing
Singular Value Decomposition
Sensitivity Analysis
Gene Regulatory Networks
Gene Expression
Hidden Regulatory Signal Mining
Transcription Factor
Dictionary Learning Model K-svd
Receiver Operating Characteristic Curves