mlsanityData to 7 Oct 2026

PRESTO: Progressive Pretraining Enhances Synthetic Chemistry Outcomes

arXiv 2406.13193 ↗First posted 19 Jun 2024cs.LG cs.AI cs.CLcited by 14

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Abstract (arXiv)

Multimodal Large Language Models (MLLMs) have seen growing adoption across various scientific disciplines. These advancements encourage the investigation of molecule-text modeling within synthetic chemistry, a field dedicated to designing and conducting chemical reactions to synthesize new compounds with desired properties and applications. Current approaches, however, often neglect the critical role of multiple molecule graph interaction in understanding chemical reactions, leading to suboptimal performance in synthetic chemistry tasks. This study introduces PRESTO(Progressive Pretraining Enhances Synthetic Chemistry Outcomes), a new framework that bridges the molecule-text modality gap by integrating a comprehensive benchmark of pretraining strategies and dataset configurations. It progressively improves multimodal LLMs through cross-modal alignment and multi-graph understanding. Our extensive experiments demonstrate that PRESTO offers competitive results in downstream synthetic chemistry tasks. The code can be found at https://github.com/IDEA-XL/PRESTO.

Key facts. Cited by 14 papers in the map (data through 7 Oct 2026). Builds on 41 of its 84 references that are in the map. First posted on arXiv 19 Jun 2024.

Builds on

41 of 84 references.

References · 41

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29 more
  1. 2023What can Large Language Models do in chemistry? A comprehensive benchmark on eight taskscited by 179
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  3. 2022Multi-modal Molecule Structure-text Model for Text-based Retrieval and Editingcited by 165
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Cited by year (2026 to 7 Oct)

Citing papers per year: 2025: 10; 2026: 4.

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  1. 2025ChemAgent: Self-updating Library in Large Language Models Improves Chemical Reasoningcited by 41
  2. 2025MIRA: Multimodal Iterative Reasoning Agent for Image Editingcited by 15
  3. 2026MementoGUI: Learning Agentic Multimodal Memory Control for Long-Horizon GUI Agentscited by 9
  4. 2025How to Detect and Defeat Molecular Mirage: A Metric-Driven Benchmark for Hallucination in LLM-based Molecular Comprehensioncited by 6
  5. 2025Rethinking Text-based Protein Understanding: Retrieval or LLM?cited by 4
  6. 2026Agentic reinforcement learning empowers next-generation chemical language models for molecular design and synthesiscited by 4
  7. 2025Omni-Mol: Multitask Molecular Model for Any-to-any Modalitiescited by 3
  8. 2025Domain Specific Benchmarks for Evaluating Multimodal Large Language Modelscited by 2
  9. 2025A Survey of Large Language Models in Discipline-specific Research: Challenges, Methods and Opportunitiescited by 2
  10. 2025Uni-Mol3: A Multi-Molecular Foundation Model for Advancing Organic Reaction Modelingcited by 2
  11. 2025MoRA: On-the-fly Molecule-aware Low-Rank Adaptation Framework for LLM-based Multi-Modal Molecular Assistantcited by 1
  12. 2025MolSculpt: Sculpting 3D Molecular Geometries from Chemical Syntaxcited by 1
2 more
  1. 2026Improving Large Molecular Language Model via Relation-aware Multimodal Collaborationcited by 0
  2. 2026RetroReasoner: A Reasoning LLM for Strategic Retrosynthesis Predictioncited by 0

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  3. 2024Text-Augmented Multimodal LLMs for Chemical Reaction Condition Recommendation
  4. 2025RxnBench: A Multimodal Benchmark for Evaluating Large Language Models on Chemical Reaction Understanding from Scientific Literature
  5. 2024Exploring Hierarchical Molecular Graph Representation in Multimodal LLMs
  6. 2025ChemVTS-Bench: Evaluating Visual-Textual-Symbolic Reasoning of Multimodal Large Language Models in Chemistry
  7. 2024Crossing New Frontiers: Knowledge-Augmented Large Language Model Prompting for Zero-Shot Text-Based De Novo Molecule Design
  8. 2024A Review of Large Language Models and Autonomous Agents in Chemistry