Graph convolutional networks for computational drug development and discovery

• Published in: Briefings in bioinformatics Vol. 21; no. 3; pp. 919 - 935
• Main Authors: Sun, Mengying, Zhao, Sendong, Gilvary, Coryandar, Elemento, Olivier, Zhou, Jiayu, Wang, Fei
• Format: Journal Article
• Language: English
• Published: England Oxford University Press 21.05.2020; Oxford Publishing Limited (England)
• Subjects: Artificial neural networks; Computer applications; Convolution; Drug development; Drug discovery; Informatics; Machine learning; Networks; Predictions; computational drug development; graph convolution network

Abstract Despite the fact that deep learning has achieved remarkable success in various domains over the past decade, its application in molecular informatics and drug discovery is still limited. Recent advances in adapting deep architectures to structured data have opened a new paradigm for pharmac...