PETrans: De Novo Drug Design with Protein-Specific Encoding Based on Transfer Learning

Recent years have seen tremendous success in the design of novel drug molecules through deep generative models. Nevertheless, existing methods only generate drug-like molecules, which require additional structural optimization to be developed into actual drugs. In this study, a deep learning method...

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Detalles Bibliográficos
Autores principales: Wang, Xun, Gao, Changnan, Han, Peifu, Li, Xue, Chen, Wenqi, Rodríguez Patón, Alfonso, Wang, Shuang, Zheng, Pan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9865828/
https://www.ncbi.nlm.nih.gov/pubmed/36674658
http://dx.doi.org/10.3390/ijms24021146

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9865828/
https://www.ncbi.nlm.nih.gov/pubmed/36674658
http://dx.doi.org/10.3390/ijms24021146

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