ChatMol represents a breakthrough approach leveraging Large Language Models for goal-oriented molecule design in pharmaceutical research, offering powerful new capabilities for drug discovery.

• Enables constraint-based molecule generation with specific properties and substructures
• Overcomes limitations of traditional methods like Bayesian optimization
• Integrates numerical capabilities with LLMs for improved molecular design
• Streamlines drug discovery process by generating viable candidate molecules faster

This innovation significantly accelerates pharmaceutical research by providing a versatile tool that can design molecules meeting precise criteria for binding affinity and other properties critical in drug development.

ChatMol: A Versatile Molecule Designer Based on the Numerically Enhanced Large Language Model