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UnCorrupt SMILES: a novel approach to de novo design

Generative deep learning models have emerged as a powerful approach for de novo drug design as they aid researchers in finding new molecules with desired properties. Despite continuous improvements in the field, a subset of the outputs that sequence-based de novo generators produce cannot be progres...

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Detalles Bibliográficos
Autores principales: Schoenmaker, Linde, Béquignon, Olivier J. M., Jespers, Willem, van Westen, Gerard J. P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9926805/
https://www.ncbi.nlm.nih.gov/pubmed/36788579
http://dx.doi.org/10.1186/s13321-023-00696-x