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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
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浏览/下载:0/0
  |  
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
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  |  
浏览/下载:48/0
  |  
提交时间:2021/09/14
alkyl-PAHs
QSARs
PNECs
ecological risks
Dalian Bay
Exploration of the structure-activity relationship and druggability of novel oxazolidinone-based compounds as Gram-negative antibacterial agents
期刊论文
ARCHIV DER PHARMAZIE, 2019, 页码: 13
作者:
Ding, Shi
;
Ji, Jing-Chao
;
Zhang, Ming-Juan
;
Yang, Yu-She
;
Wang, Rui
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  |  
浏览/下载:6/0
  |  
提交时间:2020/07/01
antibacterial activity
oxazolidine
QSAR
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:60/0
  |  
提交时间:2019/12/02
Prediction of the binding affinity of aptamers against the influenza virus.
期刊论文
SAR & QSAR in Environmental Research, 2019, 卷号: Vol.30 No.1, 页码: 51-62
作者:
Yu, X
;
Wang, Y
;
Yang, H
;
Huang, X
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  |  
浏览/下载:6/0
  |  
提交时间:2019/12/13
APTAMERS
*INFLUENZA viruses
*STRUCTURE-activity relationships (Biochemistry)
*AMINO acid sequence
*PREDICTION models
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
Structure-Activity Relationships of Pentacyclic Triterpenoids as Potent and Selective Inhibitors against Human Carboxylesterase 1
期刊论文
FRONTIERS IN PHARMACOLOGY, 2017, 卷号: 8
作者:
Zou, Li-Wei
;
Dou, Tong-Yi
;
Wang, Ping
;
Lei, Wei
;
Weng, Zi-Miao
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  |  
浏览/下载:28/0
  |  
提交时间:2017/10/29
Human Carboxylesterase 1 (Hce1)
Ursolic Acid
Oleanolic Acid
Structure-activity Relationship (Sar)
Selective Inhibitors
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
;
Villamena, Frederick A.
;
Dionysiou, Dionysios D.
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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
Synthesis, biological activities and structure-activity relationships for new avermectin analogues
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2016, 卷号: 121, 页码: 422-432
作者:
Zhang, J
;
Nan, X
;
Yu, HT
;
Cheng, PL
;
Zhang, Y
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  |  
浏览/下载:5/0
  |  
提交时间:2017/01/11
Avermectin
Structural modifications
Insecticidal activities
QSAR analysis
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