compound-protein interaction;
drug screening;
convolutional network;
deep learning;
D O I:
10.3390/biom11081119
中图分类号:
Q5 [生物化学];
Q7 [分子生物学];
学科分类号:
071010 ;
081704 ;
摘要:
In the process of drug discovery, identifying the interaction between the protein and the novel compound plays an important role. With the development of technology, deep learning methods have shown excellent performance in various situations. However, the compound-protein interaction is complicated and the features extracted by most deep models are not comprehensive, which limits the performance to a certain extent. In this paper, we proposed a multiscale convolutional network that extracted the local and global features of the protein and the topological feature of the compound using different types of convolutional networks. The results showed that our model obtained the best performance compared with the existing deep learning methods.
机构:
Korea Univ, Dept Comp Sci & Engn, Seoul 02841, South KoreaKorea Univ, Dept Comp Sci & Engn, Seoul 02841, South Korea
Nguyen, Ngoc-Quang
Jang, Gwanghoon
论文数: 0引用数: 0
h-index: 0
机构:
Korea Univ, Dept Comp Sci & Engn, Seoul 02841, South KoreaKorea Univ, Dept Comp Sci & Engn, Seoul 02841, South Korea
Jang, Gwanghoon
Kim, Hajung
论文数: 0引用数: 0
h-index: 0
机构:
Korea Univ, Interdisciplinary Grad Program Bioinformat, Seoul 02841, South KoreaKorea Univ, Dept Comp Sci & Engn, Seoul 02841, South Korea
Kim, Hajung
Kang, Jaewoo
论文数: 0引用数: 0
h-index: 0
机构:
Korea Univ, Dept Comp Sci & Engn, Seoul 02841, South Korea
Korea Univ, Interdisciplinary Grad Program Bioinformat, Seoul 02841, South Korea
AIGEN Sci, Seoul 04778, South KoreaKorea Univ, Dept Comp Sci & Engn, Seoul 02841, South Korea
机构:
Sun Moon Univ, Dept Comp Sci & Engn, Asan 31460, South KoreaSun Moon Univ, Dept Comp Sci & Engn, Asan 31460, South Korea
Elbasani, Ermal
Njimbouom, Soualihou Ngnamsie
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h-index: 0
机构:
Sun Moon Univ, Dept Comp Sci & Engn, Asan 31460, South KoreaSun Moon Univ, Dept Comp Sci & Engn, Asan 31460, South Korea
Njimbouom, Soualihou Ngnamsie
Oh, Tae-Jin
论文数: 0引用数: 0
h-index: 0
机构:
Sun Moon Univ, Genome Based BioIT Convergence Inst, Asan 31460, South Korea
Sun Moon Univ, Dept Pharmaceut Engn & Biotechnol, Asan 31460, South Korea
Sun Moon Univ, Dept BT Convergent Pharmaceut Engn, Asan 31460, South KoreaSun Moon Univ, Dept Comp Sci & Engn, Asan 31460, South Korea
Oh, Tae-Jin
Kim, Eung-Hee
论文数: 0引用数: 0
h-index: 0
机构:
Sun Moon Univ, Dept Artificial Intelligence & Software Technol, Asan 31460, South KoreaSun Moon Univ, Dept Comp Sci & Engn, Asan 31460, South Korea
Kim, Eung-Hee
Lee, Hyun
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h-index: 0
机构:
Sun Moon Univ, Dept Comp Sci & Engn, Asan 31460, South KoreaSun Moon Univ, Dept Comp Sci & Engn, Asan 31460, South Korea
Lee, Hyun
Kim, Jeong-Dong
论文数: 0引用数: 0
h-index: 0
机构:
Sun Moon Univ, Dept Comp Sci & Engn, Asan 31460, South Korea
Sun Moon Univ, Genome Based BioIT Convergence Inst, Asan 31460, South KoreaSun Moon Univ, Dept Comp Sci & Engn, Asan 31460, South Korea
机构:
Hainan Normal Univ, Sch Math & Stat, Hainan, Peoples R China
Univ Tsukuba, Dept Comp Sci, Tsukuba, 3058577, JapanHainan Normal Univ, Sch Math & Stat, Hainan, Peoples R China
Wei, Lesong
Long, Wentao
论文数: 0引用数: 0
h-index: 0
机构:
Shandong Univ, Sch Software, Jinan, Peoples R China
Shandong Univ, Joint SDU NTU Ctr Artificial Intelligence Res C FA, Jinan, Peoples R ChinaHainan Normal Univ, Sch Math & Stat, Hainan, Peoples R China
Long, Wentao
Wei, Leyi
论文数: 0引用数: 0
h-index: 0
机构:
Hainan Normal Univ, Sch Math & Stat, Hainan, Peoples R China
Shandong Univ, Sch Software, Jinan, Peoples R China
Shandong Univ, Joint SDU NTU Ctr Artificial Intelligence Res C FA, Jinan, Peoples R ChinaHainan Normal Univ, Sch Math & Stat, Hainan, Peoples R China
机构:
Cent South Univ, Sch Comp Sci & Engn, Changsha 410083, Peoples R China
Cent South Univ, Hunan Prov Key Lab Bioinformat, Changsha 410083, Peoples R ChinaCent South Univ, Sch Comp Sci & Engn, Changsha 410083, Peoples R China
Wang, Xuetao
Zhao, Qichang
论文数: 0引用数: 0
h-index: 0
机构:
Cent South Univ, Sch Comp Sci & Engn, Changsha 410083, Peoples R China
Cent South Univ, Hunan Prov Key Lab Bioinformat, Changsha 410083, Peoples R ChinaCent South Univ, Sch Comp Sci & Engn, Changsha 410083, Peoples R China
Zhao, Qichang
Wang, Jianxin
论文数: 0引用数: 0
h-index: 0
机构:
Cent South Univ, Sch Comp Sci & Engn, Changsha 410083, Peoples R China
Cent South Univ, Hunan Prov Key Lab Bioinformat, Changsha 410083, Peoples R ChinaCent South Univ, Sch Comp Sci & Engn, Changsha 410083, Peoples R China