# drexml: A command line tool and Python package for drug repurposing

## TL;DR

drexml is a tool that uses machine learning and modeling to find new drug uses for diseases, validated in two rare diseases.

## Contribution

drexml introduces a novel drug repurposing framework combining machine learning and mechanistic modeling with explainability tools.

## Key findings

- In Fanconi Anemia, drexml successfully predicted already validated repurposed drugs.
- For Familial Melanoma, drexml identified a set of promising drugs for further investigation.

## Abstract

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.