DeepDDS: deep graph neural network with attention mechanism to predict synergistic drug combinations

• Published in: Briefings in bioinformatics Vol. 23; no. 1
• Main Authors: Wang, Jinxian, Liu, Xuejun, Shen, Siyuan, Deng, Lei, Liu, Hui
• Format: Journal Article
• Language: English
• Published: England Oxford University Press 17.01.2022; Oxford Publishing Limited (England)
• Subjects: Artificial neural networks; Cancer; Computer applications; Correlation analysis; Deep learning; Drug Combinations; Gene expression; Graph neural networks; Humans; Learning algorithms; Machine Learning; Molecular structure; Multilayers; Neoplasms - drug therapy; Neural networks; Neural Networks, Computer; Protein interaction; Screening; Software; Source code; deep learning; chemical structure; graph neural network; attention mechanism; drug combination; synergistic effect

Abstract Motivation Drug combination therapy has become an increasingly promising method in the treatment of cancer. However, the number of possible drug combinations is so huge that it is hard to screen synergistic drug combinations through wet-lab experiments. Therefore, computational screening ha...