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Fine-tuning of a generative neural network for designing multi-target compounds

Exploring the origin of multi-target activity of small molecules and designing new multi-target compounds are highly topical issues in pharmaceutical research. We have investigated the ability of a generative neural network to create multi-target compounds. Data sets of experimentally confirmed mult...

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Detalles Bibliográficos
Autores principales: Blaschke, Thomas, Bajorath, Jürgen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9325839/
https://www.ncbi.nlm.nih.gov/pubmed/34046745
http://dx.doi.org/10.1007/s10822-021-00392-8