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Drug-likeness scoring based on unsupervised learning

Drug-likeness prediction is important for the virtual screening of drug candidates. It is challenging because the drug-likeness is presumably associated with the whole set of necessary properties to pass through clinical trials, and thus no definite data for regression is available. Recently, binary...

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Detalles Bibliográficos
Autores principales: Lee, Kyunghoon, Jang, Jinho, Seo, Seonghwan, Lim, Jaechang, Kim, Woo Youn
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8729801/
https://www.ncbi.nlm.nih.gov/pubmed/35126987
http://dx.doi.org/10.1039/d1sc05248a