We computationally validate our predictions on TCGA and experimentally on Glioblastoma (in collaboration with Fondazione Pisana per le Scienze) and on PDAC (in partnership with the European Institute of Oncology).

Using LLMs, we've created a pipeline to generate, starting from available metadata, drug descriptions which are then linked to @reactome.org 's biological processes. This novel method extends drug annotations and deepens MOA understanding via AI-enhanced biological pathway exploration

Leveraging the power of XAI techniques, we systematically asses whether trained models can uncover underlying molecular determinants and mechanisms of action of drugs. This serves a dual purpose: deriving new biological insights and ensuring the accuracy of existing knowledge 🔍

The implementation closely follows the original work by @timsainburg.bsky.social and @lelandmcinnes.bsky.social , for which I am deeply thankful. While still a work in progress and a bit rough around the edges, it is already functional and ready to use