Semi-inductive dataset construction and framework optimization for practical drug target interaction prediction with ScopeDTI
Year: 2025
Type: article
Language: en
Topic: Computational Drug Discovery Methods
Authors and affiliations:
raw_author_name: Yigang Chen
raw_affiliation_strings: Better Way Group-Chinese University of Hong Kong (Shenzhen) Warshel Joint Laboratory for skin health and active molecule innovation, Longgang District, Shenzhen, Guangdong, China
School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
Warshel Institute for Computational Biology, School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
raw_author_name: Xiang Ji
raw_affiliation_strings: School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
Warshel Institute for Computational Biology, School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
raw_author_name: Ziyue Zhang
raw_affiliation_strings: School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
Warshel Institute for Computational Biology, School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
raw_author_name: Zihao Zhu
raw_affiliation_strings: School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
Warshel Institute for Computational Biology, School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
raw_author_name: Yuming Zhou
raw_affiliation_strings: School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
raw_author_name: Chang Su
raw_affiliation_strings: School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
raw_author_name: Yang-Chi-Dung Lin
raw_affiliation_strings: Better Way Group-Chinese University of Hong Kong (Shenzhen) Warshel Joint Laboratory for skin health and active molecule innovation, Longgang District, Shenzhen, Guangdong, China
Guangdong Provincial Key Laboratory of Digital Biology and Drug Development, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
Warshel Institute for Computational Biology, School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
raw_author_name: Hsi-Yuan Huang
raw_affiliation_strings: Better Way Group-Chinese University of Hong Kong (Shenzhen) Warshel Joint Laboratory for skin health and active molecule innovation, Longgang District, Shenzhen, Guangdong, China. huanghsienda@cuhk.edu.cn
Department of Endocrinology, Key Laboratory of Endocrinology of National Health Commission, Peking Union Medical College Hospital, Chinese Academy of Medical Sciences & Peking Union Medical College, Beijing, People's Republic of China. huanghsienda@cuhk.edu.cn
Guangdong Provincial Key Laboratory of Digital Biology and Drug Development, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
Guangdong Provincial Key Laboratory of Digital Biology and Drug Development, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China. huanghsienda@cuhk.edu.cn
School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China. huanghsienda@cuhk.edu.cn
Warshel Institute for Computational Biology, School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
Warshel Institute for Computational Biology, School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China. huanghsienda@cuhk.edu.cn
raw_author_name: Kangping Wei
raw_affiliation_strings: School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
raw_author_name: Yi Lai
raw_affiliation_strings: School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
Warshel Institute for Computational Biology, School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
raw_author_name: Ke Chen
raw_affiliation_strings: School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
Warshel Institute for Computational Biology, School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
raw_author_name: Xingqiao Lin
raw_affiliation_strings: School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
raw_author_name: Yangyi Zhang
raw_affiliation_strings: School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
raw_author_name: Jiehui Fu
raw_affiliation_strings: School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
raw_author_name: Yixian Huang
raw_affiliation_strings: School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
Warshel Institute for Computational Biology, School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
raw_author_name: Shidong Cui
raw_affiliation_strings: School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
Warshel Institute for Computational Biology, School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
raw_author_name: Shih-Chung Yen
raw_affiliation_strings: School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
Warshel Institute for Computational Biology, School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
raw_author_name: Tao Zhang
raw_affiliation_strings: Better Way Group-Chinese University of Hong Kong (Shenzhen) Warshel Joint Laboratory for skin health and active molecule innovation, Longgang District, Shenzhen, Guangdong, China
raw_author_name: Arieh Warshel
raw_affiliation_strings: Department of Chemistry, University of Southern California, Los Angeles, CA, USA
raw_author_name: Hsien-Da Huang
raw_affiliation_strings: Better Way Group-Chinese University of Hong Kong (Shenzhen) Warshel Joint Laboratory for skin health and active molecule innovation, Longgang District, Shenzhen, Guangdong, China. huanghsienda@cuhk.edu.cn
Department of Endocrinology, Key Laboratory of Endocrinology of National Health Commission, Peking Union Medical College Hospital, Chinese Academy of Medical Sciences & Peking Union Medical College, Beijing, People's Republic of China. huanghsienda@cuhk.edu.cn
Guangdong Provincial Key Laboratory of Digital Biology and Drug Development, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
Guangdong Provincial Key Laboratory of Digital Biology and Drug Development, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China. huanghsienda@cuhk.edu.cn
School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China. huanghsienda@cuhk.edu.cn
Warshel Institute for Computational Biology, School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China
Warshel Institute for Computational Biology, School of Medicine, The Chinese University of Hong Kong, Shenzhen, Longgang District, Shenzhen, Guangdong, China. huanghsienda@cuhk.edu.cn