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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Bibliographic Details

Published in:	Expert systems with applications Vol. 240; p. 122396
Main Authors:	Bhadwal, Arun Singh, Kumar, Kamal, Kumar, Neeraj
Format:	Journal Article
Language:	English
Published:	Elsevier Ltd 15.04.2024
Subjects:	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 Access:	Get full text
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