"retrosynthetic planning" Papers

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KeeA*: Epistemic Exploratory A* Search via Knowledge Calibration

Dengwei Zhao, Shikui Tu, Yanan Sun et al.

NEURIPS 2025

Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning

Gang Liu, Michael Sun, Wojciech Matusik et al.

ICLR 2025arXiv:2410.04223
22
citations

Retro-R1: LLM-based Agentic Retrosynthesis

Wei Liu, Jiangtao Feng, Hongli Yu et al.

NEURIPS 2025