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A System for Learning Atoms Based on Long Short-Term Memory Recurrent Neural Networks

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成果类型:
会议论文
作者:
Quan, Zhe;Lin, Xuan;Wang, Zhi-Jie*;Liu, Yan;Wang, Fan;...
通讯作者:
Wang, Zhi-Jie
作者机构:
[Liu, Yan; Lin, Xuan; Li, Kenli; Quan, Zhe] Hunan Univ, Coll Informat Sci & Engn, Changsha, Hunan, Peoples R China.
[Wang, Zhi-Jie] Sun Yat Sen Univ, Sch Data & Comp Sci, Guangzhou, Guangdong, Peoples R China.
[Wang, Zhi-Jie] Guangdong Key Lab Big Data Anal & Proc, Guangzhou, Guangdong, Peoples R China.
[Wang, Zhi-Jie] Natl Engn Lab Big Data Anal & Applicat, Beijing, Peoples R China.
[Wang, Fan] Cent China Normal Univ, Coll Chem, Wuhan, Hubei, Peoples R China.
通讯机构:
[Wang, Zhi-Jie] S
[Wang, Zhi-Jie] G
[Wang, Zhi-Jie] N
Sun Yat Sen Univ, Sch Data & Comp Sci, Guangzhou, Guangdong, Peoples R China.
Guangdong Key Lab Big Data Anal & Proc, Guangzhou, Guangdong, Peoples R China.
语种:
英文
关键词:
machine learning;drug discovery;neural networks;molecule data
期刊:
PROCEEDINGS 2018 IEEE INTERNATIONAL CONFERENCE ON BIOINFORMATICS AND BIOMEDICINE (BIBM)
ISSN:
2156-1125
年:
2018
页码:
728-733
会议名称:
IEEE International Conference on Bioinformatics and Biomedicine (BIBM) - Human Genomics
会议论文集名称:
IEEE International Conference on Bioinformatics and Biomedicine-BIBM
会议时间:
DEC 03-06, 2018
会议地点:
Madrid, SPAIN
会议主办单位:
[Quan, Zhe;Lin, Xuan;Liu, Yan;Li, Kenli] Hunan Univ, Coll Informat Sci & Engn, Changsha, Hunan, Peoples R China.^[Wang, Zhi-Jie] Sun Yat Sen Univ, Sch Data & Comp Sci, Guangzhou, Guangdong, Peoples R China.^[Wang, Zhi-Jie] Guangdong Key Lab Big Data Anal & Proc, Guangzhou, Guangdong, Peoples R China.^[Wang, Zhi-Jie] Natl Engn Lab Big Data Anal & Applicat, Beijing, Peoples R China.^[Wang, Fan] Cent China Normal Univ, Coll Chem, Wuhan, Hubei, Peoples R China.
会议赞助商:
Ulster Univ, Univ Granada, Univ Carlos III Madrid, TCCLS, IEEE, IEEE Comp Soc, Natl Sci Fdn, Syst Med, Mary Ann Liebert Inc publishers
主编:
Zheng, H Callejas, Z Griol, D Wang, H Hu, X Schmidt, H Baumbach, J Dickerson, J Zhang, L
出版地:
345 E 47TH ST, NEW YORK, NY 10017 USA
出版者:
IEEE
ISBN:
978-1-5386-5488-0
基金类别:
National Key RAMP;D Program of China [2018YFB1004400]; NSFCNational Natural Science Foundation of China (NSFC) [61472124]
机构署名:
本校为其他机构
院系归属:
化学学院
摘要:
In recent years, researchers in the fields of bioinformatics and cheminformatics have attempted to utilize machine learning methods for molecule modeling, bioactivity prediction, chemical property prediction, biology analysis, etc. In this paper, we present a system that merges the merits of various techniques such as long short-term memory (LSTM) recurrent neural networks, and is designed for learning atoms and solving the classic problems such as single task classification in the field of drug discovery. We have implemented our approach and conducted extensive experiments based on several wi...

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