TY - JOUR
T1 - DRPADC
T2 - A novel drug repositioning algorithm predicting adaptive drugs for COVID-19
AU - Xie, Guobo
AU - Xu, Haojie
AU - Li, Jianming
AU - Gu, Guosheng
AU - Sun, Yuping
AU - Lin, Zhiyi
AU - Zhu, Yinting
AU - Wang, Weiming
AU - Wang, Youfu
AU - Shao, Jiang
N1 - Publisher Copyright:
© 2022 Elsevier Ltd
PY - 2022/10
Y1 - 2022/10
N2 - Given that the usual process of developing a new vaccine or drug for COVID-19 demands significant time and funds, drug repositioning has emerged as a promising therapeutic strategy. We propose a method named DRPADC to predict novel drug-disease associations effectively from the original sparse drug-disease association adjacency matrix. Specifically, DRPADC processes the original association matrix with the WKNKN algorithm to reduce its sparsity. Furthermore, multiple types of similarity information are fused by a CKA-MKL algorithm. Finally, a compressed sensing algorithm is used to predict the potential drug-disease (virus) association scores. Experimental results show that DRPADC has superior performance than several competitive methods in terms of AUC values and case studies. DRPADC achieved the AUC value of 0.941, 0.955 and 0.876 in Fdataset, Cdataset and HDVD dataset, respectively. In addition, the conducted case studies of COVID-19 show that DRPADC can predict drug candidates accurately.
AB - Given that the usual process of developing a new vaccine or drug for COVID-19 demands significant time and funds, drug repositioning has emerged as a promising therapeutic strategy. We propose a method named DRPADC to predict novel drug-disease associations effectively from the original sparse drug-disease association adjacency matrix. Specifically, DRPADC processes the original association matrix with the WKNKN algorithm to reduce its sparsity. Furthermore, multiple types of similarity information are fused by a CKA-MKL algorithm. Finally, a compressed sensing algorithm is used to predict the potential drug-disease (virus) association scores. Experimental results show that DRPADC has superior performance than several competitive methods in terms of AUC values and case studies. DRPADC achieved the AUC value of 0.941, 0.955 and 0.876 in Fdataset, Cdataset and HDVD dataset, respectively. In addition, the conducted case studies of COVID-19 show that DRPADC can predict drug candidates accurately.
KW - COVID-19
KW - Central kernel alignment multiple kernel learning
KW - Compressed sensing
KW - Drug repositioning
KW - Weight K nearest known neighbors
UR - https://www.scopus.com/pages/publications/85137743694
U2 - 10.1016/j.compchemeng.2022.107947
DO - 10.1016/j.compchemeng.2022.107947
M3 - Article
AN - SCOPUS:85137743694
SN - 0098-1354
VL - 166
JO - Computers and Chemical Engineering
JF - Computers and Chemical Engineering
M1 - 107947
ER -