NRC-VABS: Normalized Reparameterized Conditional Variational Autoencoder with applied beam search in latent space for drug molecule design

Designing an optimal and desired drug molecule structure is a challenging problem. Most of the existing solutions/representations reported in the literature for this problem are complex and time consuming. This is due to larger datasets with longer training periods and long learning dependencies. De...

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Veröffentlicht in:	Expert systems with applications Jg. 240; S. 122396
Hauptverfasser:	Bhadwal, Arun Singh, Kumar, Kamal, Kumar, Neeraj
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	Elsevier Ltd 15.04.2024
Schlagworte:	Beam search Conditioned Variational Autoencoder De novo molecule generation Deep Learning Posterior collapse Posterior collapse Beam search Deep Learning Conditioned Variational Autoencoder De novo molecule generation
ISSN:	0957-4174, 1873-6793
Online-Zugang:	Volltext
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