De Novo Design of Bioactive Small Molecules by Artificial Intelligence

Generative artificial intelligence offers a fresh view on molecular design. We present the first‐time prospective application of a deep learning model for designing new druglike compounds with desired activities. For this purpose, we trained a recurrent neural network to capture the constitution of...

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Detalles Bibliográficos
Autores principales: Merk, Daniel, Friedrich, Lukas, Grisoni, Francesca, Schneider, Gisbert
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2018
Materias:
Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5838524/
https://www.ncbi.nlm.nih.gov/pubmed/29319225
http://dx.doi.org/10.1002/minf.201700153

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5838524/
https://www.ncbi.nlm.nih.gov/pubmed/29319225
http://dx.doi.org/10.1002/minf.201700153

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