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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...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Public Library of Science
2022
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| Materias: | |
| 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 |