Molecular Representations for AI in Chemistry and Materials Science: An NLP Perspective

A research paper reviews molecular representations inspired by natural language processing for AI applications in chemistry and materials science. The paper serves as a guide for NLP researchers to understand chemical representations and their AI-based applications.

• →Deep learning has expanded into natural sciences, creating demand for machine-readable molecular representations.
• →Many chemical molecular representations have been developed, with new ones continuing to emerge as technology advances.
• →The paper focuses on digital molecular representations inspired by natural language processing techniques.
• →The review targets researchers with limited experience in chemical representations working at interdisciplinary interfaces.
• →AI-based applications using these molecular representations are discussed as notable use cases.