Polygrammar: Grammar for Digital Polymer Representation and Generation

Understand

Polymers are widely-studied materials with diverse properties and applications determined by different molecular structures.

• It is essential to represent these structures clearly and explore the full space of achievable chemical designs.
• However, existing approaches are unable to offer comprehensive design models for polymers because of their inherent scale and structural complexity.
• Here, we present a parametric, context-sensitive grammar designed specifically for the representation and generation of polymers.