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重庆大学 [4]
南京土壤研究所 [4]
沈阳应用生态研究所 [4]
北京大学 [3]
南海海洋研究所 [3]
大连理工大学 [1]
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期刊论文 [23]
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Use of QSAR and SSD methods on deriving predicted no-effect concentrations in seawater and sediment for ten individual parent- and alkyl-PAHs and a case study on the assessment of their ecological risks from the Dalian Bay, China
期刊论文
ACTA OCEANOLOGICA SINICA, 2020, 卷号: 39, 期号: 12, 页码: 95-105
作者:
Wang, Ying
;
Liu, Xing
;
Cong, Yi
;
Fei, Jin
;
Wang, Juying
收藏
  |  
浏览/下载:48/0
  |  
提交时间:2021/09/14
alkyl-PAHs
QSARs
PNECs
ecological risks
Dalian Bay
Predicting toxic potencies of metal oxide nanoparticles by means of nano-QSARs
期刊论文
NANOTOXICOLOGY, 2016, 期号: 9, 页码: 1207-1214
作者:
Mu, Yunsong
;
Wu, Fengchang
;
Zhao, Qing
;
Ji, Rong
;
Qie, Yu
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2016/12/05
Cytotoxicity
in silico modeling
metal oxide nanoparticles
nano-QSARs
Exploring QSARs for 5-Lipoxygenase (5-LO) Inhibitory Activity of 2-Substituted 5Hydroxyindole-3-Carboxylates by CoMFA and CoMSIA
期刊论文
2011, 卷号: 78, 期号: [db:dc_citation_issue], 页码: 314
作者:
Zheng, Junxia[2]
;
Xiao, Gaokeng[1]
;
Guo, Jialiang[1]
;
Zheng, Yang[2]
;
Gao, Hao[1]
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  |  
浏览/下载:3/0
  |  
提交时间:2019/12/03
Improved 3D-QSAR analyzes for the predictive toxicology of polybrominated diphenyl ethers with CoMFA/CoMSIA and DFT
期刊论文
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2010, 卷号: 73, 期号: 6, 页码: 1470-1479
作者:
Gu, Chenggang
;
Ju, Xuehai
;
Jiang, Xin
;
Yu, Kai
;
Yang, Shaogui
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2019/10/10
Polybrominated diphenyl ethers
QSARs
CoMFA
CoMSIA
DFT
Predictive toxicology
DFT study on the bromination pattern dependence of electronic properties and their validity in quantitative structure-activity relationships of polybrominated diphenyl ethers
期刊论文
SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 2009, 卷号: 20, 期号: 3-4, 页码: 287-307
作者:
Gu, C. G.
;
Ju, X. H.
;
Jiang, X.
;
Wang, F.
;
Yang, S. G.
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  |  
浏览/下载:23/0
  |  
提交时间:2019/10/10
polybrominated diphenyl ethers
QSAR
polarisability
polarisability anisotropy
quadrupole moment
DFT
QSARs for congener-specific toxicity of polyhalogenated dibenzo-p-dioxins with DFT and WHIM theory
期刊论文
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2009, 卷号: 72, 期号: 1-1, 页码: 60-70
Gu CG (Gu, Chenggang), Jiang X (Jiang, Xin), Ju XH (Ju, Xuehai), Gong XD (Gong, Xuedong), Wang F (Wang, Fang), Bian YR (Bian, Yongrong), Sun C (Sun, Cheng)
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  |  
浏览/下载:169/28
  |  
提交时间:2011/04/20
Mechanism-Based Quantitative Structure-Activity Relationships on Toxicity of Selected Herbicides to Chlorella vulgaris and Raphidocelis subcapitata
期刊论文
BULLETIN OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY, 2009, 卷号: 83, 页码: 520-524
作者:
Ding, Guanghui
;
Li, Xue
;
Zhang, Fan
;
Chen, Jingwen
;
Huang, Liping
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  |  
浏览/下载:1/0
  |  
提交时间:2019/12/24
Herbicides
Toxicity
QSARs
Green algae
Prediction of biodegradation rate constants of hydroxylated polychlorinated biphenyls by fungal laccases from Trametes versicolor and Pleurotus ostreatus
期刊论文
BULLETIN OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY, 2008, 卷号: 81, 期号: 1, 页码: 1-6
作者:
Jiang, G. X.
;
Niu, J. F.
;
Zhang, S. P.
;
Zhang, Z. Y.
;
Xie, B.
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2013/10/08
hydroxylated PCBs
QSARs
laccases
biodegradation
QSARs for the toxicity of polychlorinated dibenzofurans through DFT-calculated descriptors of polarizabilities, hyperpolarizabilities and hyper-order electric moments
期刊论文
CHEMOSPHERE, 2007, 卷号: 67, 期号: 7, 页码: 1325-1334
作者:
Gu, Chenggang
;
Jiang, Xin
;
Ju, Xuehai
;
Yu, Guifen
;
Bian, Yongrong
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/10/10
PCDFs
binding affinities
induction potencies
polarizability anisotropy
QSAR
DFT-B3LYP
T-scale as a novel vector of topological descriptors for amino acids and its application in QSARs of peptides
期刊论文
2007, 卷号: 830, 页码: 106-115
作者:
Tian, Feifei
;
Zhou, Peng
;
Li, Zhiliang
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  |  
浏览/下载:1/0
  |  
提交时间:2019/11/28
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