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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Detalhes bibliográficos
Autor principal: Sousa, Tiago (author)
Outros Autores: Correia, João (author), Pereira, Vítor (author), Rocha, Miguel (author)
Formato: conferencePaper
Idioma:eng
Publicado em: 2021
Assuntos:
Texto completo:http://hdl.handle.net/1822/74509
País:Portugal
Oai:oai:repositorium.sdum.uminho.pt:1822/74509