Bioactivity assessment of natural compounds using machine learning models trained on target similarity between drugs

Natural compounds constitute a rich resource of potential small molecule therapeutics. While experimental access to this resource is limited due to its vast diversity and difficulties in systematic purification, computational assessment of structural similarity with known therapeutic molecules offer...

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Detalles Bibliográficos
Autores principales: Periwal, Vinita, Bassler, Stefan, Andrejev, Sergej, Gabrielli, Natalia, Patil, Kaustubh Raosaheb, Typas, Athanasios, Patil, Kiran Raosaheb
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2022
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9071136/
https://www.ncbi.nlm.nih.gov/pubmed/35468126
http://dx.doi.org/10.1371/journal.pcbi.1010029

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9071136/
https://www.ncbi.nlm.nih.gov/pubmed/35468126
http://dx.doi.org/10.1371/journal.pcbi.1010029

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