SUPERChem: A Multimodal Reasoning Benchmark in Chemistry
On the map: LLM reasoning → Clinical and biomedical applications
Abstract (arXiv)
Current benchmarks for evaluating the chemical reasoning capabilities of Large Language Models (LLMs) are limited by oversimplified tasks, lack of process-level evaluation, and misalignment with expert-level chemistry skills. To address these issues, we introduce SUPERChem, a benchmark of 500 expert-curated reasoning-intensive chemistry problems, covering diverse subfields and provided in both multimodal and text-only formats. Original content and an iterative curation pipeline eliminate flawed items and mitigate data contamination. Each problem is paired with an expert-authored solution path, enabling Reasoning Path Fidelity (RPF) scoring to evaluate reasoning quality beyond final-answer accuracy. Evaluations against a human baseline of 40.3% accuracy show that even the best-performing model, GPT-5 (High), reaches only 38.5%, followed closely by Gemini 2.5 Pro (37.9%) and DeepSeek-V3.1-Think (37.3%). SUPERChem elicits multi-step, multimodal reasoning, reveals model-dependent effects of visual information, and distinguishes high-fidelity reasoners from heuristic ones. By providing a challenging benchmark and a reliable evaluation framework, SUPERChem aims to facilitate the advancement of LLMs toward expert-level chemical intelligence. The dataset of the benchmark is available at https://huggingface.co/datasets/ZehuaZhao/SUPERChem.
Key facts. Cited by 7 papers in the map (data through 7 Oct 2026). Placed in Clinical and biomedical applications, one of 17 directions in LLM reasoning. Builds on 21 of its 28 references that are in the map. First posted on arXiv 1 Dec 2025.
Builds on
21 of 28 references.
Closest ancestors · 3
Same direction, newest first
- 2025FGBench: A Dataset and Benchmark for Molecular Property Reasoning at Functional Group-Level in Large Language Models1 Aug
- 2025Beyond Chemical QA: Evaluating LLM's Chemical Reasoning with Modular Chemical Operations27 May
- 2025Assessing the Chemical Intelligence of Large Language Models12 May
Other references · 18
- 2025DeepSeek-R1: Incentivizing Reasoning Capability in LLMs via Reinforcement Learningcited by 6,146
- 2025Gemini 2.5: Pushing the Frontier with Advanced Reasoning, Multimodality, Long Context, and Next Generation Agentic Capabilitiescited by 3,655
- 2023GPQA: A Graduate-Level Google-Proof Q&A Benchmarkcited by 2,748
- 2025Humanity's Last Examcited by 467
- 2023SciBench: Evaluating College-Level Scientific Problem-Solving Abilities of Large Language Modelscited by 246
- 2023What can Large Language Models do in chemistry? A comprehensive benchmark on eight taskscited by 179
- 2023SciEval: A Multi-Level Large Language Model Evaluation Benchmark for Scientific Researchcited by 112
- 2024OlympicArena: Benchmarking Multi-discipline Cognitive Reasoning for Superintelligent AIcited by 70
- 2025SuperGPQA: Scaling LLM Evaluation across 285 Graduate Disciplinescited by 67
- 2025LLM-SRBench: A New Benchmark for Scientific Equation Discovery with Large Language Modelscited by 61
- 2025PHYBench: Holistic Evaluation of Physical Perception and Reasoning in Large Language Modelscited by 57
- 2025Intern-S1: A Scientific Multimodal Foundation Modelcited by 49
6 more
- 2025Benchmarking Retrieval-Augmented Generation for Chemistrycited by 19
- 2024ChemEval: A Comprehensive Multi-Level Chemical Evaluation for Large Language Modelscited by 18
- 2024Benchmarking Large Language Models for Molecule Prediction Taskscited by 17
- 2024ChemSafetyBench: Benchmarking LLM Safety on Chemistry Domaincited by 14
- 2025Benchmarking Multimodal LLMs on Recognition and Understanding over Chemical Tablescited by 10
- 2025QCBench: Evaluating Large Language Models on Domain-Specific Quantitative Chemistrycited by 5
Built on by
Citing papers per year: 2025: 2; 2026: 5.
7 papers.
- 2026Innovator-VL: A Multimodal Large Language Model for Scientific Discoverycited by 7
- 2026When Single Answer Is Not Enough: Rethinking Single-Step Retrosynthesis Benchmarks for LLMscited by 4
- 2025SynCraft: Guiding Large Language Models to Predict Edit Sequences for Molecular Synthesizability Optimizationcited by 1
- 2026A3-Bench: Benchmarking Memory-Driven Scientific Reasoning via Anchor and Attractor Activationcited by 1
- 2025A Scientific Reasoning Model for Organic Synthesis Procedure Generationcited by 0
- 2026From Answers to States: Verifiable Process-Level Evaluation of Chemical Reasoning in Large Language Modelscited by 0
- 2026Cross-Domain Hybrid OPD for Generalizable Search Agentscited by 0
- 2026Cross-Domain Hybrid OPD for Generalizable Search Agents3 Aug 2026
- 2026From Answers to States: Verifiable Process-Level Evaluation of Chemical Reasoning in Large Language Models2 Jun 2026
- 2026When Single Answer Is Not Enough: Rethinking Single-Step Retrosynthesis Benchmarks for LLMs3 Feb 2026
- 2026Innovator-VL: A Multimodal Large Language Model for Scientific Discovery27 Jan 2026
- 2026A3-Bench: Benchmarking Memory-Driven Scientific Reasoning via Anchor and Attractor Activation14 Jan 2026
- 2025SynCraft: Guiding Large Language Models to Predict Edit Sequences for Molecular Synthesizability Optimization23 Dec 2025
- 2025A Scientific Reasoning Model for Organic Synthesis Procedure Generation15 Dec 2025
Similar, not cited
Close in wording, no citation either way
- 2025ChemVTS-Bench: Evaluating Visual-Textual-Symbolic Reasoning of Multimodal Large Language Models in Chemistry
- 2026ChemDIRT: A Diversified Instruction, Representation, and Task Benchmark for Robust Chemistry-LLM Evaluation
- 2025Training a Scientific Reasoning Model for Chemistry
- 2025Evaluating Large Language Models on Multimodal Chemistry Olympiad Exams
- 2025RxnBench: A Multimodal Benchmark for Evaluating Large Language Models on Chemical Reaction Understanding from Scientific Literature
- 2026ChemPro: A Progressive Chemistry Benchmark for Large Language Models
- 2025MiST: Understanding the Role of Mid-Stage Scientific Training in Developing Chemical Reasoning Models
- 2025ChemAgent: Self-updating Library in Large Language Models Improves Chemical Reasoning