AIAI Seminar - Monday, 25th September 2023 - Talk by Daniel Domingo Fernández

Speaker:    Dr. Daniel Domingo-Fernández

Title:            Transforming Drug Discovery: Unleashing the Power of Machine Learning - A Knowledge Graph Case Study

Abstract:  

The field of drug discovery is currently experiencing a profound transformation, spurred by recent advances in Machine Learning (ML).  This presentation will examine the various complexities inherent in the drug discovery process and elucidate how ML can expedite the discovery of new drugs.   To illustrate this, the presentation will provide a comprehensive overview of several practical examples within the framework of Knowledge Graphs, showcasing how ML enables confident data-driven decision-making.   These examples encompass a range of applications, including repurposing approved drugs for new indications, identifying novel chemical structures, and gaining deeper insights into the functionality of these chemicals.

Related literature: 

- https://doi.org/10.1016/j.isci.2023.107729 

- https://doi.org/10.1093/bib/bbac481 

- https://doi.org/10.1371/journal.pcbi.1009909 

- https://doi.org/10.26434/chemrxiv-2023-vsmpx-v4