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 [5]
广州地球化学研究所 [2]
长春光学精密机械与物... [1]
成都生物研究所 [1]
大连化学物理研究所 [1]
水生生物研究所 [1]
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采集方式
OAI收割 [12]
内容类型
期刊论文 [9]
会议论文 [2]
学位论文 [1]
发表日期
2025 [1]
2024 [2]
2023 [1]
2018 [1]
2017 [2]
2016 [1]
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学科主题
药物化学 [1]
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浏览/检索结果:
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AI-enhanced virtual screening approach to hit identification for GluN1/GluN3A NMDA receptor
期刊论文
OAI收割
ACTA PHARMACOLOGICA SINICA, 2025, 页码: 12
作者:
Ji, Yue-shan
;
Zeng, Yue
;
Hu, Shao-fei
;
Li, Shu-wang
;
Zhang, Bei-chen
  |  
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2025/12/04
N
-methyl-
D
-aspartate receptors (NMDARs)
GluN1/GluN3A
virtual screening
shape screening
rapid overlay of chemical structures (ROCS)
bidirectional and auto-regressive transformers (BART)
Beyond plastic pollution: Unveiling chemical release from plastic debris in river water and seawater using non-target screening
期刊论文
OAI收割
WATER RESEARCH, 2024, 卷号: 267, 页码: 11
作者:
Peng, Xianzhi
;
Li, Xinling
  |  
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2025/04/01
Plastic pollution
Chemical release
Leaching kinetics
Aquatic environment
Nontarget screening
Revealing chemical release from plastic debris in animals' digestive systems using nontarget and suspect screening and simulating digestive fluids
期刊论文
OAI收割
ENVIRONMENTAL POLLUTION, 2024, 卷号: 348, 页码: 10
作者:
Peng, Xianzhi
;
Yang, Tao
;
Guo, Shang
;
Zhou, Jing
;
Chen, Guangshi
  |  
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2024/09/12
Nontarget and suspect screening
Digestive fluids
Plastic pollution
Chemical release
UHPLC-HRMS
Thimerosal, a competitive thioredoxin reductase 1 (TrxR1) inhibitor discovered via high-throughput screening
期刊论文
OAI收割
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, 2023, 卷号: 650, 页码: 117-122
作者:
Ni, Yicheng
;
Luo, Zhongyuan
;
Lv, Yixin
;
Ma, Shuyuan
;
Luo, Cheng
  |  
收藏
  |  
浏览/下载:52/0
  |  
提交时间:2023/10/17
Thioredoxin reductase 1 inhibitor
Chemical probe
High -throughput screening
Thimerosal
Computational chemical biology and drug design: Facilitating protein structure, function, and modulation studies
期刊论文
OAI收割
MEDICINAL RESEARCH REVIEWS, 2018, 卷号: 38, 期号: 3, 页码: 914-950
作者:
Zheng, Mingyue
;
Zhao, Jihui
;
Cui, Chen
;
Fu, Zunyun
;
Li, Xutong
  |  
收藏
  |  
浏览/下载:84/0
  |  
提交时间:2019/01/08
ADMET
chemical biology
drug design
in silico
lead optimization
molecular dynamics
polypharmacology
virtual screening
Nontargeted screening of chemical contaminants and illegal additives in food based on liquid chromatography-high resolution mass spectrometry
期刊论文
OAI收割
TRAC-TRENDS IN ANALYTICAL CHEMISTRY, 2017, 卷号: 96, 页码: 89-98
作者:
Fu, Yanqing
;
Zhao, Chunxia
;
Lu, Xin
;
Xu, Guowang
  |  
收藏
  |  
浏览/下载:56/0
  |  
提交时间:2019/06/20
Nontargeted Screening
Liquid Chromatography-mass Spectrometry
Food Safety
Illegal Additives
Chemical Contaminants
Establishment of a three-step method to evaluate effects of chemicals on development of zebrafish embryo/larvae
期刊论文
OAI收割
CHEMOSPHERE, 2017, 卷号: 186, 期号: 1, 页码: 209-217
作者:
Li, Guangyu
;
Ye, Huike
;
Su, Guanyong
;
Han, Zhihua
;
Xie, Congxin
  |  
收藏
  |  
浏览/下载:64/0
  |  
提交时间:2019/09/26
Chemical screening
CdCl2
TDCIPP
FTOH
Developmental toxicity
Morphology
Molecular screening for target of action and mode of action of toxic chemical
会议论文
OAI收割
中国浙江杭州, 2016-09-11
作者:
Jinmiao Zha
;
Wang ZJ(王子健)
  |  
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2018/12/25
mode
Molecular screening for target of action and mode of action of toxic chemical
AOP
Application of chemical biology in target identification and drug discovery
期刊论文
OAI收割
ARCHIVES OF PHARMACAL RESEARCH, 2015, 卷号: 38, 期号: 9, 页码: 1642-1650
作者:
Zhu, Yue
;
Xiao, Ting
;
Lei, Saifei
;
Zhou, Fulai
;
Wang, Ming-Wei
  |  
收藏
  |  
浏览/下载:49/0
  |  
提交时间:2019/01/08
Chemical biology
Genomics
Proteomics
Drug discovery
Target validation
High-throughput screening (HTS)
低极性化合物的电喷雾质谱检测方法及几种中藏药材的活性成分研究
学位论文
OAI收割
博士, 2009
刘鑫
收藏
  |  
浏览/下载:190/0
  |  
提交时间:2011/05/09
传统中藏药
盐酸羟胺衍生化
化学成分
电喷雾质谱
色谱–质谱联用
羌活
长花党参
石莲叶点地梅
活性筛选
traditional Chinese and Tibetan medicine
hydroxylamine hydrochloride derivatization
chemical constituent
ESI-MS
GC/LC-MS
Notopterygium incisum
Codonopsis thalictrifolis
Androsace integra
bioassay screening