An automated rule-based parser plus LLM pipeline creates a 163k-pair molecular structure-language dataset validated at 98.6% precision on a 2,000-sample subset.
This sulfur is double-bonded to two oxygen atoms and single-bonded to Ring B (a phenyl ring)
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A Large-Scale Dataset for Molecular Structure-Language Description via a Rule-Regularized Method
An automated rule-based parser plus LLM pipeline creates a 163k-pair molecular structure-language dataset validated at 98.6% precision on a 2,000-sample subset.