A Review of Deep Learning in Computer-Aided Drug Design

Chih Hung Chang; Che Lun Hung; Chuan Yi Tang

doi:10.1109/BIBM47256.2019.8982968

A Review of Deep Learning in Computer-Aided Drug Design

Chih Hung Chang, Che Lun Hung, Chuan Yi Tang

生物醫學資訊研究所

研究成果: Conference contribution › 同行評審

2 引文斯高帕斯（Scopus）

摘要

Recently, Deep Learning has been applied to many medical domains, such as medical image analysis, bioinformatic, biochemistry, drug design, and so forth, to improve the performance that is superior to traditional computational approaches; especially in computer-aided drug design. Many AI-driven drug discovery startups have utilized deep learning methodology to achieve the significant improvement of searching candidate compounds, predicting functions, and so forth. Therefore, using AI to facilitate drug design is the trend in the coming future. In this study, a comprehensive review of the current state-of-the-art in Computer-Aided Drug Design using deep learning methods is presented. Meanwhile, the challenges and potential of these methods are also highlighted.

原文	English
主出版物標題	Proceedings - 2019 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2019
編輯	Illhoi Yoo, Jinbo Bi, Xiaohua Tony Hu
發行者	Institute of Electrical and Electronics Engineers Inc.
頁面	1856-1861
頁數	6
ISBN（電子）	9781728118673
DOIs	https://doi.org/10.1109/BIBM47256.2019.8982968
出版狀態	Published - 11月 2019
事件	2019 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2019 - San Diego, United States 持續時間: 18 11月 2019 → 21 11月 2019

出版系列

名字	Proceedings - 2019 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2019

Conference

Conference	2019 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2019
國家/地區	United States
城市	San Diego
期間	18/11/19 → 21/11/19

UN SDG

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10.1109/BIBM47256.2019.8982968

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Link to publication in Scopus

引用此

Chang, C. H., Hung, C. L., & Tang, C. Y. (2019). A Review of Deep Learning in Computer-Aided Drug Design. 於 I. Yoo, J. Bi, & X. T. Hu (編輯), Proceedings - 2019 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2019 (頁 1856-1861). [8982968] (Proceedings - 2019 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2019). Institute of Electrical and Electronics Engineers Inc.. https://doi.org/10.1109/BIBM47256.2019.8982968

Chang, Chih Hung ; Hung, Che Lun ; Tang, Chuan Yi. / A Review of Deep Learning in Computer-Aided Drug Design. Proceedings - 2019 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2019. 編輯 / Illhoi Yoo ; Jinbo Bi ; Xiaohua Tony Hu. Institute of Electrical and Electronics Engineers Inc., 2019. 頁 1856-1861 (Proceedings - 2019 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2019).

@inproceedings{67c039627a504715b37ed17722bd6af8,

title = "A Review of Deep Learning in Computer-Aided Drug Design",

abstract = "Recently, Deep Learning has been applied to many medical domains, such as medical image analysis, bioinformatic, biochemistry, drug design, and so forth, to improve the performance that is superior to traditional computational approaches; especially in computer-aided drug design. Many AI-driven drug discovery startups have utilized deep learning methodology to achieve the significant improvement of searching candidate compounds, predicting functions, and so forth. Therefore, using AI to facilitate drug design is the trend in the coming future. In this study, a comprehensive review of the current state-of-the-art in Computer-Aided Drug Design using deep learning methods is presented. Meanwhile, the challenges and potential of these methods are also highlighted.",

keywords = "Artificial Intelligence, Compound Searching, Computer-Aided Drug Design, Deep Learning",

author = "Chang, {Chih Hung} and Hung, {Che Lun} and Tang, {Chuan Yi}",

note = "Publisher Copyright: {\textcopyright} 2019 IEEE.; null ; Conference date: 18-11-2019 Through 21-11-2019",

year = "2019",

month = nov,

doi = "10.1109/BIBM47256.2019.8982968",

language = "English",

series = "Proceedings - 2019 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2019",

publisher = "Institute of Electrical and Electronics Engineers Inc.",

pages = "1856--1861",

editor = "Illhoi Yoo and Jinbo Bi and Hu, {Xiaohua Tony}",

booktitle = "Proceedings - 2019 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2019",

address = "United States",

}

Chang, CH, Hung, CL & Tang, CY 2019, A Review of Deep Learning in Computer-Aided Drug Design. 於 I Yoo, J Bi & XT Hu (編輯), Proceedings - 2019 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2019., 8982968, Proceedings - 2019 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2019, Institute of Electrical and Electronics Engineers Inc., 頁 1856-1861, 2019 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2019, San Diego, United States, 18/11/19. https://doi.org/10.1109/BIBM47256.2019.8982968

A Review of Deep Learning in Computer-Aided Drug Design. / Chang, Chih Hung; Hung, Che Lun; Tang, Chuan Yi.

Proceedings - 2019 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2019. 編輯 / Illhoi Yoo; Jinbo Bi; Xiaohua Tony Hu. Institute of Electrical and Electronics Engineers Inc., 2019. p. 1856-1861 8982968 (Proceedings - 2019 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2019).

研究成果: Conference contribution › 同行評審

TY - GEN

T1 - A Review of Deep Learning in Computer-Aided Drug Design

AU - Chang, Chih Hung

AU - Hung, Che Lun

AU - Tang, Chuan Yi

PY - 2019/11

Y1 - 2019/11

N2 - Recently, Deep Learning has been applied to many medical domains, such as medical image analysis, bioinformatic, biochemistry, drug design, and so forth, to improve the performance that is superior to traditional computational approaches; especially in computer-aided drug design. Many AI-driven drug discovery startups have utilized deep learning methodology to achieve the significant improvement of searching candidate compounds, predicting functions, and so forth. Therefore, using AI to facilitate drug design is the trend in the coming future. In this study, a comprehensive review of the current state-of-the-art in Computer-Aided Drug Design using deep learning methods is presented. Meanwhile, the challenges and potential of these methods are also highlighted.

AB - Recently, Deep Learning has been applied to many medical domains, such as medical image analysis, bioinformatic, biochemistry, drug design, and so forth, to improve the performance that is superior to traditional computational approaches; especially in computer-aided drug design. Many AI-driven drug discovery startups have utilized deep learning methodology to achieve the significant improvement of searching candidate compounds, predicting functions, and so forth. Therefore, using AI to facilitate drug design is the trend in the coming future. In this study, a comprehensive review of the current state-of-the-art in Computer-Aided Drug Design using deep learning methods is presented. Meanwhile, the challenges and potential of these methods are also highlighted.

KW - Artificial Intelligence

KW - Compound Searching

KW - Computer-Aided Drug Design

KW - Deep Learning

UR - http://www.scopus.com/inward/record.url?scp=85084340100&partnerID=8YFLogxK

U2 - 10.1109/BIBM47256.2019.8982968

DO - 10.1109/BIBM47256.2019.8982968

M3 - Conference contribution

AN - SCOPUS:85084340100

T3 - Proceedings - 2019 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2019

SP - 1856

EP - 1861

BT - Proceedings - 2019 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2019

A2 - Yoo, Illhoi

A2 - Bi, Jinbo

A2 - Hu, Xiaohua Tony

PB - Institute of Electrical and Electronics Engineers Inc.

Y2 - 18 November 2019 through 21 November 2019

ER -

Chang CH, Hung CL, Tang CY. A Review of Deep Learning in Computer-Aided Drug Design. 於 Yoo I, Bi J, Hu XT, 編輯, Proceedings - 2019 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2019. Institute of Electrical and Electronics Engineers Inc. 2019. p. 1856-1861. 8982968. (Proceedings - 2019 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2019). doi: 10.1109/BIBM47256.2019.8982968

A Review of Deep Learning in Computer-Aided Drug Design

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