In the last decade, artificial intelligence (AI) and machine learning (ML) have become integral to every phase of the drug discovery process, firmly establishing themselves as key contributors to decision-making across the industry. Despite being hailed as “breakthroughs” expected to streamline processes and cut costs, skepticism regarding their actual impact is growing. While the seamless integration of AI into daily life has made routine tasks more convenient, questions arise regarding the actual usefulness of AI, for example, in compound ideation. Is the presence of AI in drug discovery momentary hype, or are we witnessing the beginning of a real transformation?
This webinar will focus on introducing the general concept of ML/AI in the drug discovery workflow, shedding light on both its potential and limitations. We will concisely present the fundamental concepts, catering to medicinal chemists and individuals unfamiliar with computational methods. Simultaneously, real-world examples will be showcased to engage computational chemists and data scientists, offering a comprehensive exploration of the subject.
Additional material: Presentation slides [PDF]
