Sc2Mol: a scaffold-based two-step molecule generator with variational autoencoder and transformer

MOTIVATION: Finding molecules with desired pharmaceutical properties is crucial in drug discovery. Generative models can be an efficient tool to find desired molecules through the distribution learned by the model to approximate given training data. Existing generative models (i) do not consider bac...

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Detalles Bibliográficos
Autores principales: Liao, Zhirui, Xie, Lei, Mamitsuka, Hiroshi, Zhu, Shanfeng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2022
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9835482/
https://www.ncbi.nlm.nih.gov/pubmed/36576008
http://dx.doi.org/10.1093/bioinformatics/btac814

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9835482/
https://www.ncbi.nlm.nih.gov/pubmed/36576008
http://dx.doi.org/10.1093/bioinformatics/btac814

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