Multi-objective de novo drug design with conditional graph generative model

Multi-objective de novo drug design with conditional graph generative model

Abstract Recently, deep generative models have revealed itself as a promising way of performing de novo molecule design. However, previous research has focused mainly on generating SMILES strings instead of molecular graphs. Although available, current graph generative models are are often too gener...

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Bibliographic Details
Main Authors: Yibo Li, Liangren Zhang, Zhenming Liu
Format: Article
Language:English
Published: BMC 2018-07-01
Series:Journal of Cheminformatics
Subjects:
Deep learning
De novo drug design
Graph generative model
Online Access:http://link.springer.com/article/10.1186/s13321-018-0287-6

Internet

http://link.springer.com/article/10.1186/s13321-018-0287-6

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