Artificial intelligence (AI) is one of the most relevant and controversial technologies of the 21st century. AI and its subcategories, machine learning (ML) and deep learning (DL), are wide-ranging tools supporting humans during decisional processes. The widespread use of computational methods is a phenomenon observed across almost every sector, from the most traditional to digital and the pharmaceutical industry. For the latter, this has been particularly the case since the Covid-19 crisis. The critical activity of each pharma company is called drug discovery and development (DDD): it is a process that, according to literature, takes an average of 10,5 years (Thomas et al., 2021, p.