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
上海药物研究所 [7]
心理研究所 [5]
采集方式
OAI收割 [12]
内容类型
期刊论文 [12]
发表日期
2023 [7]
2022 [3]
2021 [1]
2020 [1]
学科主题
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Covariation of preadult environmental exposures, adult brain imaging phenotypes, and adult personality traits
期刊论文
OAI收割
MOLECULAR PSYCHIATRY, 2023, 页码: 14
作者:
Xue, Kaizhong
;
Gao, Bo
;
Chen, Feng
;
Wang, Meiyun
;
Cheng, Jingliang
  |  
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2023/10/30
LogD7.4 prediction enhanced by transferring knowledge from chromatographic retention time, microscopic pKa and logP
期刊论文
OAI收割
JOURNAL OF CHEMINFORMATICS, 2023, 卷号: 15, 期号: 1, 页码: 13
作者:
Wang, Yitian
;
Xiong, Jiacheng
;
Xiao, Fu
;
Zhang, Wei
;
Cheng, Kaiyang
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2023/10/17
logD7.4
Lipid solubility
Graph neural network
Molecular property prediction
Cross-ancestry genome-wide association meta-analyses of hippocampal and subfield volumes
期刊论文
OAI收割
NATURE GENETICS, 2023, 页码: 20
作者:
Liu, Nana
;
Zhang, Longjiang
;
Tian, Tian
;
Cheng, Jingliang
;
Zhang, Bing
  |  
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2023/10/09
Tora3D: an autoregressive torsion angle prediction model for molecular 3D conformation generation
期刊论文
OAI收割
JOURNAL OF CHEMINFORMATICS, 2023, 卷号: 15, 期号: 1, 页码: 14
作者:
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2023/10/17
Conformations generation
Autoregressive
Transformer
Deep learning
Small molecules
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:4/0
  |  
提交时间:2024/03/27
De novo molecule design
Generative models
Deep learning
Virtual screening
Compound quality control
The impact of pre-adulthood urbanicity on hippocampal subfield volumes and neurocognitive abilities in young adults
期刊论文
OAI收割
ENVIRONMENT INTERNATIONAL, 2023, 卷号: 174, 页码: 11
作者:
Liu, Mengge
;
Han, Tong
;
Wu, Yue
;
Cheng, Jingliang
;
Zhang, Longjiang
  |  
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2023/10/09
Hippocampal subfields
Urban
Neurocognition
Remote sensing
Neuroimaging
The impact of pre-adulthood urbanicity on hippocampal subfield volumes and neurocognitive abilities in young adults
期刊论文
OAI收割
Environment International, 2023
作者:
Mengge Liu
;
Tong Han
;
Yue Wu
;
Jingliang Cheng
;
Longjiang Zhang
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2023/05/04
Hippocampal subfields
Urban
Neurocognition
Remote sensing
Neuroimaging
Blood–brain barrier penetration prediction enhanced by uncertainty estimation
期刊论文
OAI收割
Journal of Cheminformatics, 2022, 卷号: 14, 期号: 1
作者:
Tong,Xiaochu
;
Wang,Dingyan
;
Ding,Xiaoyu
;
Tan,Xiaoqin
;
Ren,Qun
  |  
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2022/08/16
Blood–brain barrier penetration
BBBp prediction
Uncertainty estimation
Design, synthesis, and LFA-1/ICAM-1 antagonist activity evaluation of Lifitegrast analogues
期刊论文
OAI收割
MEDICINAL CHEMISTRY RESEARCH, 2022, 页码: 25
作者:
Du, Guoxin
;
Du, Weiwei
;
An, Yuanlong
;
Wang, Minnan
;
Hao, Feifei
  |  
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2022/06/15
Lifitegrast
Analogues
LFA-1/ICAM-1 antagoinst
Dry eye
Corneal epithelial in jury
Discovery of Pyrazolo[3,4-d]pyridazinone Derivatives as Selective DDR1 Inhibitors via Deep Learning Based Design, Synthesis, and Biological Evaluation
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2022, 卷号: 65, 期号: 1, 页码: 103-119
作者:
Tan, Xiaoqin
;
Li, Chunpu
;
Yang, Ruirui
;
Zhao, Sen
;
Li, Fei
  |  
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2022/06/15