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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
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Machine learning prediction for constructing a universal multidimensional information library of
Panax
saponins (ginsenosides)
期刊论文
OAI收割
FOOD CHEMISTRY, 2024, 卷号: 439, 页码: 10
作者:
Wang, Hongda
;
Zhang, Lin
;
Li, Xiaohang
;
Sun, Mengxiao
;
Jiang, Meiting
  |  
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2024/02/19
Retention time
Collision cross section
Machine learning
Multidimensional information library
Hierarchical design
DockingGA: enhancing targeted molecule generation using transformer neural network and genetic algorithm with docking simulation
期刊论文
OAI收割
BRIEFINGS IN FUNCTIONAL GENOMICS, 2024, 页码: 12
作者:
Gao, Changnan
;
Bao, Wenjie
;
Wang, Shuang
;
Zheng, Jianyang
;
Wang, Lulu
  |  
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2024/05/20
molecule generation
molecule optimization
drug discovery
deep learning
drug design
genetic algorithm
Rational design and discovery of novel oxalate-like derivatives as aphid-repellent candidates based on odorant-binding protein 3
期刊论文
OAI收割
JOURNAL OF MOLECULAR STRUCTURE, 2024, 卷号: 1301, 页码: 11
作者:
Zhu, Ziwei
;
Li, Jianing
;
Liu, Chong
;
Li, Huilin
;
Lu, Xingxing
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2024/04/09
Odorant-binding protein
Oxalate-like derivatives
Rational design
Repellent activity
Behavioural control agents
Inverse design of high efficiency and large bandwidth power splitter for arbitrary power ratio based on deep residual network
期刊论文
OAI收割
Optical and Quantum Electronics, 2024, 卷号: 56, 期号: 4
作者:
Wen, Jin
;
Wu, Zhengwei
;
Zhang, Hui
;
Wang, Qian
;
Yu, Huimin
  |  
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2024/03/07
Power splitter
Inverse design
Direct binary search
Neural network
Integrating Model Predictive Control With Stormwater System Design: A Cost-Effective Method of Urban Flood Risk Mitigation During Heavy Rainfall
期刊论文
OAI收割
WATER RESOURCES RESEARCH, 2024, 卷号: 60, 期号: 4, 页码: 18
作者:
Sun, Lanxin
;
Xia, Jun
;
She, Dunxian
  |  
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2024/05/06
model predictive control (MPC)
stormwater system design
model framework
urban flooding
peak flow
Towards connection-scalable RNIC architecture
期刊论文
OAI收割
JOURNAL OF SUPERCOMPUTING, 2024, 页码: 25
作者:
Kang, Ning
;
Wang, Zhan
;
Yang, Fan
;
Ma, Xiaoxiao
  |  
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2024/05/20
Architecture design
Network Interface Card (NIC)
Remote Direct Memory Access (RDMA)
Scalability problem
Chemical Space Profiling of SARS-CoV-2 PL
pro
Using DNA-Encoded Focused Libraries
期刊论文
OAI收割
ACS MEDICINAL CHEMISTRY LETTERS, 2024, 页码: 10
作者:
Wang, Xudong
;
Zhu, Ying
;
Zhao, Qingyi
;
Lu, Weiwei
;
Xu, Yechun
  |  
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2024/05/07
DNA-Encoded Focused Libraries (DEFLs)
SARS-CoV-2
Papain-like Protease
Library Design
ProteinInhibitors
Stiffness design, failure modes, and lightweight design of truss-lattice with filler sandwich plate under thermal loading
期刊论文
OAI收割
JOURNAL OF THERMAL STRESSES, 2024, 页码: 28
作者:
Hu XY(胡修禹)
;
Yuan W(袁武)
;
Song HW(宋宏伟)
  |  
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2024/04/15
Failure map
lightweight design
stiffness design
truss-filler lattice
Discovery of a 1,6-naphthyridin-4-one-based AXL inhibitor with improved pharmacokinetics and enhanced in vivo antitumor efficacy
期刊论文
OAI收割
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2024, 卷号: 265, 页码: 17
作者:
Lan, Yaohan
;
Peng, Xia
;
Ji, Yinchun
;
Su, Yi
;
Duan, Wenhu
  |  
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2024/02/27
AXL inhibitor
In vivo antitumor efficacy
6-Naphthyridin-4-one derivatives
Scaffold hopping
Structure-based drug design
Intelligent design and construction of novel APN-based theranostic probe driven by advanced computational methods
期刊论文
OAI收割
CHINESE CHEMICAL LETTERS, 2024, 卷号: 35, 期号: 2, 页码: 6
作者:
Zhu, Yingli
;
Qian, Jie
;
Yu, Kunqian
;
Hou, Jing
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2024/01/26
Theranostic probe
Artificial intelligence
Conformational restriction
Fluorescence restoration
Design strategy