cMolGPT: A Conditional Generative Pre-Trained Transformer for Target-Specific De Novo Molecular Generation

Deep generative models applied to the generation of novel compounds in small-molecule drug design have attracted a lot of attention in recent years. To design compounds that interact with specific target proteins, we propose a Generative Pre-Trained Transformer (GPT)-inspired model for de novo targe...

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Detalles Bibliográficos
Autores principales: Wang, Ye, Zhao, Honggang, Sciabola, Simone, Wang, Wenlu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10254772/
https://www.ncbi.nlm.nih.gov/pubmed/37298906
http://dx.doi.org/10.3390/molecules28114430

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10254772/
https://www.ncbi.nlm.nih.gov/pubmed/37298906
http://dx.doi.org/10.3390/molecules28114430

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