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A pharmacophore-guided deep learning approach for bioactive molecular generation

The rational design of novel molecules with the desired bioactivity is a critical but challenging task in drug discovery, especially when treating a novel target family or understudied targets. We propose a Pharmacophore-Guided deep learning approach for bioactive Molecule Generation (PGMG). Through...

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Detalles Bibliográficos
Autores principales: Zhu, Huimin, Zhou, Renyi, Cao, Dongsheng, Tang, Jing, Li, Min
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10558534/
https://www.ncbi.nlm.nih.gov/pubmed/37803000
http://dx.doi.org/10.1038/s41467-023-41454-9