Explaining Accurate Predictions of Multitarget Compounds with Machine Learning Models Derived for Individual Targets

In drug discovery, compounds with well-defined activity against multiple targets (multitarget compounds, MT-CPDs) provide the basis for polypharmacology and are thus of high interest. Typically, MT-CPDs for polypharmacology have been discovered serendipitously. Therefore, over the past decade, compu...

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Detalles Bibliográficos
Autores principales: Lamens, Alec, Bajorath, Jürgen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9860926/
https://www.ncbi.nlm.nih.gov/pubmed/36677879
http://dx.doi.org/10.3390/molecules28020825

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9860926/
https://www.ncbi.nlm.nih.gov/pubmed/36677879
http://dx.doi.org/10.3390/molecules28020825

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