most citedSpeak-to-Structure: Evaluating LLMs in Open-domain Natural Language-Driven Molecule Generation

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cs.CE2026

Chemical Chain-of-Thought Functions as a Hallucination-Prone Molecular Scratchpad

Jiatong Li, Yuxuan Ren, Weida Wang +2

Chemical reasoning language models are expected to derive molecular answers through faithful chain-of-thought (CoT). However, across four reasoning model families and twelve chemis…

cs.CE2025

Chem-R: Learning to Reason as a Chemist

Weida Wang, Benteng Chen, Di Zhang +14

Although large language models (LLMs) have significant potential to advance chemical discovery, current LLMs lack core chemical knowledge, produce unreliable reasoning trajectories…