1.
Br J Dermatol
; 189(6): 774-776, 2023 11 16.
Artículo
en Inglés
| MEDLINE
| ID: mdl-37655918
2.
Comput Struct Biotechnol J
; 23: 1129-1143, 2024 Dec.
Artículo
en Inglés
| MEDLINE
| ID: mdl-38510973
RESUMEN
We introduce drexml, a command line tool and Python package for rational data-driven drug repurposing. The package employs machine learning and mechanistic signal transduction modeling to identify drug targets capable of regulating a particular disease. In addition, it employs explainability tools to contextualize potential drug targets within the functional landscape of the disease. The methodology is validated in Fanconi Anemia and Familial Melanoma, two distinct rare diseases where there is a pressing need for solutions. In the Fanconi Anemia case, the model successfully predicts previously validated repurposed drugs, while in the Familial Melanoma case, it identifies a promising set of drugs for further investigation.