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大连化学物理研究所 [24]
上海药物研究所 [23]
北京大学 [4]
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期刊论文 [85]
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Stronger wind, smaller tree: Testing tree growth plasticity through a modeling approach
期刊论文
FRONTIERS IN PLANT SCIENCE, 2022, 卷号: 13, 页码: 17
作者:
Wang, Haoyu
;
Hua, Jing
;
Kang, Mengzhen
;
Wang, Xiujuan
;
Fan, Xing-Rong
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2023/01/09
functional-structural plant model
mechanical model
critical wind speed
tree breakage
optimization
thigmomorphogenesis
Critical features identification for chemical chronic toxicity based on mechanistic forecast models
期刊论文
ENVIRONMENTAL POLLUTION, 2022, 卷号: 307, 页码: 8
作者:
Wang, Xiaoqing
;
Li, Fei
;
Chen, Jingwen
;
Teng, Yuefa
;
Ji, Chenglong
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  |  
浏览/下载:26/0
  |  
提交时间:2022/07/26
Computational toxicology
Machine learning
Structural alerts
Risk assessment
Prioritization rank
Development of novel experimental and modelled low density polyethylene (LDPE)-water partition coefficients for a range of hydrophobic organic compounds
期刊论文
Environmental Pollution, 2021, 卷号: 291
作者:
Zhu, Tengyi
;
W., Chen
;
C.T., Jafvert
;
D., Fu
;
H., Cheng
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  |  
浏览/下载:15/0
  |  
提交时间:2022/02/17
Hydrophobicity
Micelles
Nonionic surfactants
Reliability analysis
Solubility
Aqueous phasis
Hydrophobic organic compound
In-silico models
Low density polyethylene-water partition coefficient
Measured values
Micelle-water partition coefficient
Polymer phase
W-value
Water partition coefficients
Development of novel experimental and modelled low density polyethylene (LDPE)-water partition coefficients for a range of hydrophobic organic compounds
期刊论文
ENVIRONMENTAL POLLUTION, 2021, 卷号: 291
作者:
Zhu, Tengyi
;
Chen, Wenxuan
;
Jafvert, Chad T.
;
Fu, Dafang
;
Cheng, Haomiao
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  |  
浏览/下载:12/0
  |  
提交时间:2021/12/17
HOCs
Surfactant
Micelle-water partition coefficient
LDPE-Water partition coefficients
In silico models
AdmixSim: A Forward-Time Simulator for Various Complex Scenarios of Population Admixture
期刊论文
FRONTIERS IN GENETICS, 2020, 卷号: 11, 页码: 5
作者:
Yang, Xiong
;
Yuan, Kai
;
Ni, Xumin
;
Zhou, Ying
;
Guo, Wei
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  |  
浏览/下载:19/0
  |  
提交时间:2021/04/26
simulation
population admixture
genetic ancestry
Wright Fisher model
admixture model
Prioritizing phthalate esters (PAEs) using experimental in vitro/vivo toxicity assays and computational in silico approaches
期刊论文
JOURNAL OF HAZARDOUS MATERIALS, 2020, 卷号: 398, 页码: 12
作者:
Hamid, Naima
;
Junaid, Muhammad
;
Manzoor, Rakia
;
Jia, Pan-Pan
;
Pei, De-Sheng
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  |  
浏览/下载:74/0
  |  
提交时间:2020/12/01
Mixture toxicity
Phthalates
HPG axis
Estrogen receptor
Zebrafish
Synthesis, antifungal activity and potential mechanism of fusidic acid derivatives possessing amino-terminal groups
期刊论文
FUTURE MEDICINAL CHEMISTRY, 2020, 卷号: 12, 期号: 9, 页码: 763-774
作者:
Cao, Yucheng
;
Ni, Jingxuan
;
Ji, Wentao
;
Shang, Kangle
;
Liang, Kaicheng
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  |  
浏览/下载:13/0
  |  
提交时间:2020/12/24
antifungal activity
fusidic acid
homology modeling
molecular docking
molecular dynamics simulations
Modeling pesticides toxicity to Sheepshead minnow using QSAR
期刊论文
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2020, 卷号: 193, 页码: 1-9
作者:
Yang, Lu
;
Wang, Yinghuan
;
Hao, Weiyu
;
Chang, Jing
;
Pan, Yifan
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2021/09/15
QSAR
Sheepshead minnow
Ecotoxicity
Pesticides
Bioactivity Prediction Based on Matched Molecular Pair and Matched Molecular Series Methods
期刊论文
CURRENT PHARMACEUTICAL DESIGN, 2020, 卷号: 26, 期号: 33, 页码: 4195-4205
作者:
Ding, Xiaoyu
;
Cui, Chen
;
Wang, Dingyan
;
Zhao, Jihui
;
Zheng, Mingyue
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2020/12/21
Matched molecular pair
matched molecular series
bioactivity prediction
SAR transfer
application domain
lead optimization
Incorporating chemical sub-structures and protein evolutionary information for inferring drug-target interactions
期刊论文
SCIENTIFIC REPORTS, 2020, 卷号: 10, 期号: 1, 页码: 1-11
作者:
Wang, L (Wang, Lei)[ 1,2 ]
;
You, ZH (You, Zhu-Hong)[ 2 ]
;
Li, LP (Li, Li-Ping)[ 2 ]
;
Yan, X (Yan, Xin)[ 3 ]
;
Zhang, W (Zhang, Wei)[ 1 ]
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  |  
浏览/下载:25/0
  |  
提交时间:2020/12/09
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