Article

ScaffoldGVAE: Scaffold Generation and Hopping of Drug Molecules via a Variational Autoencoder Based on Multi-View Graph Neural Networks

2023-08-17

Abstract excerpt

In recent years, drug design has been revolutionized by the application of deep learning techniques, and molecule generation is a crucial aspect of this transformation. However, most of the current deep learning approaches do not explicitly consider and apply scaffold hopping strategy when performing molecular generation. In this work, we propose ScaffoldGVAE, a variational autoencoder based on multi-view graph ne...

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Literature Corpus work: 3b7139b4-7d19-53ba-8854-9aa7d0eaecf7
DOI: 10.21203/rs.3.rs-3254116/v1

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