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上海药物研究所 [3]
生态环境研究中心 [2]
青海盐湖研究所 [1]
昆明植物研究所 [1]
湖南大学 [1]
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期刊论文 [8]
发表日期
2018 [8]
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Artificial intelligence in drug design
期刊论文
SCIENCE CHINA-LIFE SCIENCES, 2018, 卷号: 61, 期号: 10, 页码: 1191-1204
作者:
Zhong, Feisheng
;
Xing, Jing
;
Li, Xutong
;
Liu, Xiaohong
;
Fu, Zunyun
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2019/01/08
drug design
artificial intelligence
deep learning
QSAR
ADME/T
Structure-Dependent Activity of Polybrominated Diphenyl Ethers and Their Hydroxylated Metabolites on Estrogen Related Receptor gamma: in Vitro and in Silico Study
期刊论文
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2018, 卷号: 52, 期号: 15, 页码: 8894-8902
作者:
Andersson, Patrik L.
;
Ren, Xiao-Min
;
Zheng, Ziye
;
Cao, Lin-Ying
;
Guo, Liang-Hong
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2019/06/20
Molecular Modeling Studies on Carbazole Carboxamide Based BTK Inhibitors Using Docking and Structure-Based 3D-QSAR
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2018, 卷号: 19, 期号: 4
作者:
Li, Rui
;
Du, Yongli
;
Gao, Zhipei
;
Shen, Jingkang
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2019/01/08
rheumatoid arthritis (RA)
Broton's tyrosine kinase (BTK)
carbazole carboxamide derivatives
3D-QSAR
comparative molecular field analysis (CoMFA)
comparative molecular similarity indices analysis (CoMSIA)
Structure-Activity Relationship of Xanthones as Inhibitors of Xanthine Oxidase
期刊论文
MOLECULES, 2018, 卷号: 23, 期号: 2, 页码: 365
作者:
Zhou, Ling-Yun
;
Peng, Jia-Le
;
Wang, Jun-Ming
;
Geng, Yuan-Yuan
;
Zuo, Zhi-Li
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2018/05/08
Xanthone
Xanthine Oxidase Inhibitors
3d-qsar
Gout
Chlorination, chloramination and ozonation of carbamazepine enhance cytotoxicity and genotoxicity: Multi-endpoint evaluation and identification of its genotoxic transformation products
期刊论文
JOURNAL OF HAZARDOUS MATERIALS, 2018, 卷号: 342, 页码: 679-688
作者:
Oda, Yoshimitsu
;
Wang, Zijian
;
Huang, Chao
;
Hou, Rui
;
Li, Na
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2019/06/24
Anti-epileptic drug
Chlorine
Chloramine
Ozone
Bioassays
Solar salt doped by MWCNTs as a promising high thermal conductivity material for CSP
期刊论文
RSC ADVANCES, 2018, 卷号: 8, 期号: 34, 页码: 19251-19260
作者:
Wu, Yanze
;
Li, Jinli
;
Wang, Min
;
Wang, Huaiyou
;
Zhong, Yuan
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2018/11/20
Molecular design of 1,3,5,7-TetraCN derivatives with reduced bioconcentration using 3D-QSAR modeling, full factorial design, and molecular docking
期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2018, 卷号: Vol.84, 页码: 197-214
作者:
Zhao, Yuanyuan
;
Gu, Wenwen
;
Li, Yu
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/12/26
Polychlorinated
naphthalene
Bioconcentration
Three-dimensional
quantitative
structure-activity
relationship
Full
factorial
experiment
Molecule
modification
Molecular
docking
artificialintelligenceindrugdesign
期刊论文
sciencechinalifesciences, 2018, 卷号: 61, 期号: 10, 页码: 1191
作者:
Zhong Feisheng
;
Xing Jing
;
Li Xutong
;
Liu Xiaohong
;
Fu Zunyun
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2020/07/01
PROTEIN-PROTEIN-INTERACTION
MACHINE LEARNING-METHODS
COMPUTATIONAL METHODS
MOLECULAR-PROPERTIES
INTERACTION NETWORKS
NEURAL-NETWORKS
PREDICTION
DOCKING
DISCOVERY
PERMEABILITY
drug design
artificial intelligence
deep learning
QSAR
ADME/T
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