Preprint
Aug 2026
MolecularCanvas: LLM-assisted Small-Molecule Drug Discovery via Structure-Guided Constraints
MolecularCanvas is an interactive system that enables users to iteratively construct an optimization context by integrating high-level goals, structure-level annotations, property constraints, and reference-based preferences that guides the generation of candidate molecules across diverse molecular structures.
Haoyu Dong, Rui Sheng, Shu-Hao Zhang et al.
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