Combining multi-objective evolutionary algorithms with deep generative models towards focused molecular design

Recent advances in applying deep generative learning to molecular design have led to a large number of novel approaches to the targeted generation of molecules towards specific features and applications. In this work, we expand on the latent space navigation approach, where molecules are optimized b...

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Bibliographic Details
Main Author: Sousa, Tiago (author)
Other Authors: Correia, João (author), Pereira, Vítor (author), Rocha, Miguel (author)
Format: conferencePaper
Language:eng
Published: 2021
Subjects:
Online Access:http://hdl.handle.net/1822/74509
Country:Portugal
Oai:oai:repositorium.sdum.uminho.pt:1822/74509