Chemical language models for de novo drug design: Challenges and opportunities

Generative deep learning is accelerating de novo drug design, by allowing the generation of molecules with desired properties on demand. Chemical language models - which generate new molecules in the form of strings using deep learning - have been particularly successful in this endeavour. Thanks to ad-vances in natural language processing methods and interdis-ciplinary collaborations, chemical language models are expected to become increasingly relevant in drug discovery. This minireview provides an overview of the current state-of-the-art of chemical language models for de novo design, and analyses current limitations, challenges, and advantages. Finally, a perspective on future opportunities is provided.