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
宁波材料技术与工程... [14]
上海药物研究所 [9]
高能物理研究所 [1]
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OAI收割 [24]
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期刊论文 [24]
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2024 [2]
2023 [1]
2021 [1]
2020 [3]
2019 [7]
2018 [6]
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Chemistry [3]
Materials ... [3]
Physics [2]
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FAPM: functional annotation of proteins using multimodal models beyond structural modeling
期刊论文
OAI收割
BIOINFORMATICS, 2024, 卷号: 40, 期号: 12, 页码: 12
作者:
Xiang, Wenkai
;
Xiong, Zhaoping
;
Chen, Huan
;
Xiong, Jiacheng
;
Zhang, Wei
  |  
收藏
  |  
浏览/下载:96/0
  |  
提交时间:2025/01/14
Fine-tuning large language models for chemical text mining
期刊论文
OAI收割
CHEMICAL SCIENCE, 2024, 页码: 12
作者:
Zhang, Wei
;
Wang, Qinggong
;
Kong, Xiangtai
;
Xiong, Jiacheng
;
Ni, Shengkun
  |  
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2024/07/12
MolFilterGAN: a progressively augmented generative adversarial network for triaging AI-designed molecules
期刊论文
OAI收割
JOURNAL OF CHEMINFORMATICS, 2023, 卷号: 15, 期号: 1, 页码: 42
作者:
Liu, Xiaohong
;
Zhang, Wei
;
Tong, Xiaochu
;
Zhong, Feisheng
;
Li, Zhaojun
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2024/03/27
De novo molecule design
Generative models
Deep learning
Virtual screening
Compound quality control
Graphene wrapped silicon suboxides anodes with suppressed Li-uptake behavior enabled superior cycling stability
期刊论文
OAI收割
ENERGY STORAGE MATERIALS, 2021, 卷号: 35, 页码: 317-326
作者:
Fu, Rusheng
  |  
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2021/12/01
LITHIUM-ION BATTERY
MECHANO-ELECTROCHEMICAL INTERACTION
HIGH-CAPACITY
POROUS SILICON
SI
ELECTRODES
NANOPARTICLES
GROWTH
DEFORMATION
COMPOSITE
Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 16, 页码: 8723-8737
作者:
Li, Xutong
;
Li, Zhaojun
;
Wu, Xiaolong
;
Xiong, Zhaoping
;
Yang, Tianbiao
  |  
收藏
  |  
浏览/下载:45/0
  |  
提交时间:2020/12/21
Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 16, 页码: 8723-8737
作者:
Li, Xutong
;
Li, Zhaojun
;
Wu, Xiaolong
;
Xiong, Zhaoping
;
Yang, Tianbiao
  |  
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2020/12/21
Unveiling the Effect of Surface and Bulk Structure on Electrochemical Properties of Disproportionated SiOx Anodes
期刊论文
OAI收割
CHEMNANOMAT, 2020, 卷号: 6, 期号: 7, 页码: 1127-1135
作者:
Long, Zuxin
;
Fu, Rusheng
;
Ji, Jingjing
;
Feng, Zuyong
;
Liu, Zhaoping
  |  
收藏
  |  
浏览/下载:41/0
  |  
提交时间:2020/12/16
HIGH-PERFORMANCE ANODE
HIGH-CAPACITY
NEGATIVE ELECTRODE
SILICON MONOXIDE
REACTION-MECHANISM
ION BATTERIES
CARBON
COMPOSITE
STABILITY
CYCLE
KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules
期刊论文
OAI收割
BIOINFORMATICS, 2019, 卷号: 35, 期号: 24, 页码: 5354-5356
作者:
Li, Zhaojun
;
Li, Xutong
;
Liu, Xiaohong
;
Fu, Zunyun
;
Xiong, Zhaoping
  |  
收藏
  |  
浏览/下载:242/0
  |  
提交时间:2020/07/01
Improving the Virtual Screening Ability of Target-Specific Scoring Functions Using Deep Learning Methods
期刊论文
OAI收割
FRONTIERS IN PHARMACOLOGY, 2019, 卷号: 10, 页码: 11
作者:
Wang, Dingyan
;
Cui, Chen
;
Ding, Xiaoyu
;
Xiong, Zhaoping
;
Zheng, Mingyue
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2020/07/01
virtual screening
target-specific scoring function
deep learning
drug discovery
DUD-E
Controlling siloxene oxidization to tailor SiOx anodes for high performance lithium ion batteries
期刊论文
OAI收割
JOURNAL OF POWER SOURCES, 2019, 卷号: 432, 页码: 65-72
作者:
Fu, Rusheng
;
Li, Yunsong
;
Wu, Yongkang
;
Shen, Chengxu
;
Fan, Chongzhao
  |  
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2019/12/18
GENERALIZED GRADIENT APPROXIMATION
TOTAL-ENERGY CALCULATIONS
HIGH-CAPACITY
SILICON
LI
NANOCOMPOSITE
COMPOSITE
ELECTRODE
METALS
LAYER