FAME: Fragment-based Conditional Molecular Generation for Phenotypic Drug Discovery

molecular design is a key challenge in drug discovery due to the complexity of chemical space. With the availability of molecular datasets and advances in machine learning, many deep generative models are proposed for generating novel molecules with desired properties. However, most of the existing...

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Veröffentlicht in:	Proceedings of the ... SIAM International Conference on Data Mining Jg. 2022; S. 720
Hauptverfasser:	Pham, Thai-Hoang, Xie, Lei, Zhang, Ping
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	United States 2022
Schlagworte:	conditional generation contrastive learning fragment variational autoencoder gene expression
ISSN:	2167-0102
Online-Zugang:	Weitere Angaben
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