Chemi-Net: A Molecular Graph Convolutional Network for Accurate Drug Property Prediction

Chemi-Net: A Molecular Graph Convolutional Network for Accurate Drug Property Prediction

Absorption, distribution, metabolism, and excretion (ADME) studies are critical for drug discovery. Conventionally, these tasks, together with other chemical property predictions, rely on domain-specific feature descriptors, or fingerprints. Following the recent success of neural networks, we develo...

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Bibliographic Details
Main Authors: Ke Liu, Xiangyan Sun, Lei Jia, Jun Ma, Haoming Xing, Junqiu Wu, Hua Gao, Yax Sun, Florian Boulnois, Jie Fan
Format: Article
Language:English
Published: MDPI AG 2019-07-01
Series:International Journal of Molecular Sciences
Subjects:
deep learning
ADME prediction
drug discovery
Online Access:https://www.mdpi.com/1422-0067/20/14/3389

Internet

https://www.mdpi.com/1422-0067/20/14/3389

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