Molcano: Molecular Language for Chemical Assembly Notation (opens in new tab)

Molecular design operates through fragment-based reasoning, yet many widely used molecular encodings rely on atom-level representations. This misalignment makes fragment-by-fragment construction and scaffold-centered designs hard to realize, especially for fused-ring systems. We present MOLCANO, a molecular language that represents molecules as chemically interpretable fragments linked by explicit junction tags, supporting single-bond, face-to-face, and even substructure-level connections for...