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Molecule generation using transformers and policy gradient reinforcement learning

Generating novel valid molecules is often a difficult task, because the vast chemical space relies on the intuition of experienced chemists. In recent years, deep learning models have helped accelerate this process. These advanced models can also help identify suitable molecules for disease treatmen...

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Detalles Bibliográficos
Autores principales: Mazuz, Eyal, Shtar, Guy, Shapira, Bracha, Rokach, Lior
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10232454/
https://www.ncbi.nlm.nih.gov/pubmed/37258546
http://dx.doi.org/10.1038/s41598-023-35648-w