Diversity oriented Deep Reinforcement Learning for targeted molecule generation

In this work, we explore the potential of deep learning to streamline the process of identifying new potential drugs through the computational generation of molecules with interesting biological properties. Two deep neural networks compose our targeted generation framework: the Generator, which is t...

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Detalles Bibliográficos
Autores principales: Pereira, Tiago, Abbasi, Maryam, Ribeiro, Bernardete, Arrais, Joel P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2021
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7944916/
https://www.ncbi.nlm.nih.gov/pubmed/33750461
http://dx.doi.org/10.1186/s13321-021-00498-z

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7944916/
https://www.ncbi.nlm.nih.gov/pubmed/33750461
http://dx.doi.org/10.1186/s13321-021-00498-z

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