Large Language Models for Early Phase GenAI Drug Discovery

Large Language Model (LLM) performance for drug discovery applications has improved in 2024 with the release of models such as Llama 3 70B and GPT 4o. State of the art drug synthesis utility can be achieved today when appropriate prompts are submitted with proper LLM settings using an API or Chat framework. The barrier to entry for medicinal chemists to design effective drug synthesis has been improved, while also providing expert chemists with greater chemical natural language processing than prior AI technologies. These enhanced functionalities are achieved through convenient and effective conversational innovation between AI and humans, often resembling dialogue with traditional medical experts.