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 [3]
大连化学物理研究所 [2]
生态环境研究中心 [1]
采集方式
OAI收割 [6]
内容类型
期刊论文 [5]
学位论文 [1]
发表日期
2021 [1]
2010 [2]
2006 [1]
2005 [1]
1997 [1]
学科主题
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基于分子结构深度学习的化学品雌激素受体激活活性预测
学位论文
OAI收割
北京: 中国科学院大学;中国科学院生态环境研究中心, 2021
作者:
王理国
  |  
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2022/06/20
雌激素受体激活活性,定量构效关系,深度学习,分子 Smiles 编码,三维分子表面静电势点云
estrogen Receptor Agonist Activity, Quantitative structure-Activity Relationship, Deep Learning, Molecular Smiles String, Three-dimensional Molecular Surface Electrostatic Potential Point Cloud.
Three-Dimensional Quantitative Structure-Activity Relationships of flavonoids and estrogen receptors based on docking
期刊论文
OAI收割
CHINESE SCIENCE BULLETIN, 2010, 卷号: 55, 期号: 15, 页码: 1488-1494
作者:
Wu Yang
;
Wang Yong
;
Zhang AiQian
;
Yu HongXia
;
Wang LianSheng
  |  
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/01/08
flavonoids
ligand-receptor docking
Three-Dimensional Quantitative Structure Activity Relationship (3D-QSAR)
comparative molecular field analysis (CoMFA)
molecular similarity index analysis (CoMSIA)
Three-dimensional quantitative structure activity relationship of flavonoids and estrogen receptor based on docking
期刊论文
OAI收割
Chinese Science Bulletin, 2010, 卷号: 55, 期号: 2, 页码: 132-139
作者:
Wu Yang
;
Wang Yong
;
Zhang Aiqian
;
Yu Hongxia
;
Wang Liansheng
  |  
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2019/01/08
(3D-QSAR)
(CoMFA)
(CoMSIA)
flavonoids
ligand-receptor docking
three-dimensional quantitative structure activity relationship(3D-QSAR)
comparative molecular field analysis(CoMFA)
molecular similarity index analysis(CoMSIA)
Three-dimensional quantitative structure-activity relationship of 4,5,6,7-tetrahydrothienopyridines analogues as glucose-6-phosphatase inhibitors
期刊论文
OAI收割
journal of molecular structure, 2006, 卷号: 782, 期号: 1, 页码: 49-54
作者:
Wang, C
;
Yang, L
;
Yang, SL
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2015/11/11
glucose-6-phosphatase
4
three-dimensional quantitative structure-activity relationship
partial least
comparative molecular field analysis
5
6
7-tetrahydrothienopyridines analogues
Comparison of steroid substrates and inhibitors of P-glycoprotein by 3D-QSAR analysis
期刊论文
OAI收割
journal of molecular structure, 2005, 卷号: 733, 期号: 1-3, 页码: 111-118
作者:
Li, Y
;
Wang, YH
;
Yang, L
;
Zhang, SW
;
Liu, CH
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2010/11/30
P-glycoprotein
steroid
three-dimensional quantitative structure-activity relationship
partial least square
comparative similarity index analysis
Interaction models of 3-methylfentanyl derivatives with mu opioid receptors
期刊论文
OAI收割
ACTA PHARMACOLOGICA SINICA, 1997, 卷号: 18, 期号: 2, 页码: 128-132
作者:
Rong, SB
;
Zhu, YC
;
Jiang, HL
;
Wang, QM
;
Zhao, SR
  |  
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2019/01/08
3-methylfentanyl
ohmefentanyl
three-dimensional quantitative structure-activity relationship
comparative molecular field analysis
interaction models
mu opioid receptors