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兰州大学 [10]
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长春应用化学研究所 [7]
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基于极限梯度提升算法和特征筛选方法的羊角月牙藻(Selenastrum capricornutum)急性毒性定量构效关系(QSAR)模型的建立与应用
期刊论文
生态毒理学报, 2023, 卷号: 18, 期号: 3, 页码: 33-46
作者:
滕跃发
;
王晓晴
;
李斐
;
吉成龙
;
吴惠丰
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2024/01/26
多环芳烃
羊角月牙藻
定量构效关系
机器学习
极限梯度提升
特征筛选
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:52/0
  |  
提交时间:2021/09/14
alkyl-PAHs
QSARs
PNECs
ecological risks
Dalian Bay
Cytotoxic Trichothecene Macrolides Produced by the Endophytic Myrothecium roridum
期刊论文
JOURNAL OF NATURAL PRODUCTS, 2019, 卷号: 82, 期号: 6, 页码: 1503-1509
作者:
Shen, Li
;
Ai, Chun-Zhi
;
Song, Yong-Chun
;
Wang, Feng-Wu
;
Jiao, Rui-Hua
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  |  
浏览/下载:65/0
  |  
提交时间:2019/12/02
Photoswitchable diarylethene‐based polyurethane film for photorewritable patterning and stable information storage
期刊论文
Journal of Applied Polymer Science, 2019, 卷号: Vol.136 No.20
作者:
Maolin Yu
;
Hong Wang
;
Yuqi Li
;
Peisheng Zhang
;
Shu Chen
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  |  
浏览/下载:13/0
  |  
提交时间:2019/12/13
dyes/pigments
films
optical
properties
polyurethane
stimuli‐sensitive
polymers
Development of bovine serum albumin-water partition coefficients predictive models for ionogenic organic chemicals based on chemical form adjusted descriptors
期刊论文
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2017, 卷号: 144, 页码: 131-137
作者:
Ding, Feng
;
Yang, Xianhai
;
Chen, Guosong
;
Liu, Jining
;
Shi, Lili
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/12/03
Bovine serum albumin water partition coefficient
Ionogenic organic chemicals
Quantitative structure-activity relationships (QSAR)
Chemical form adjusted molecular descriptors
Ionization effects
Quantitative structure–activity relationships for reactivities of sulfate and hydroxyl radicals with aromatic contaminants through single–electron transfer pathway
期刊论文
Journal of Hazardous Materials, 2017, 卷号: 344, 页码: 1165-1173
作者:
Luo, Shuang
;
Wei, Zongsu
;
Spinney, Richard
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  |  
浏览/下载:2/0
  |  
提交时间:2019/12/03
Highest occupied molecular orbital
Hydroxyl radical
QSAR
Single electron transfer
Sulfate radical anion
Predicting anti-androgenic activity of bisphenols using molecular docking and quantitative structure-activity relationships
期刊论文
CHEMOSPHERE, 2016, 卷号: 163, 页码: 373-381
作者:
Yang, Xianhai
;
Liu, Huihui
;
Yang, Qian
;
Liu, Jining
;
Chen, Jingwen
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  |  
浏览/下载:4/0
  |  
提交时间:2019/12/09
Endocrine disrupting chemical (EDC)
Bisphenols
Anti-androgenic activity
Human androgen receptor (hAR)
Quantitative structure-activity relationships (QSAR)
Molecular docking
Affinities of organophosphate flame retardants to tumor suppressor gene p53: An integrated in vitro and in silico study
期刊论文
TOXICOLOGY LETTERS, 2015, 卷号: 232, 期号: 2, 页码: 533-541
作者:
Li, Fei
;
Wu, Huifeng
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2015/07/31
Organophosphate flame retardants (OPFRs)
p53
Docking
Quantitative structure-activity relationship (QSAR)
Binding affinity
Partial least squares (PLS)
A Combined Quantitative Structure-Activity Relationship Research of Quinolinone Derivatives as Androgen Receptor Antagonists
期刊论文
COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, 2015, 卷号: 18, 期号: 9, 页码: 834-845
作者:
Wang, YW
;
Bai, F
;
Cao, H
;
Li, JZ
;
Liu, HX
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/01/11
Androgen receptor (AR)
comparative molecular field analysis (CoMFA)
prostate cancer (PCa)
comparative molecular similarity indices analysis (CoMSIA)
multiple linear regression (MLR)
In silico research to assist the investigation of carboxamide derivatives as potent TRPV1 antagonists
期刊论文
molecular biosystems, 2015, 卷号: 11, 期号: 11, 页码: 2885-2899
作者:
Wang, Jinghui
;
Li, Yan
;
Yang, Yinfeng
;
Du, Jian
;
Zhang, Shuwei
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2015/11/17
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