Token-Mol 1.0: tokenized drug design with large language models

Token-Mol 1.0: tokenized drug design with large language models

Abstract The integration of large language models (LLMs) into drug design is gaining momentum; however, existing approaches often struggle to effectively incorporate three-dimensional molecular structures. Here, we present Token-Mol, a token-only 3D drug design model that encodes both 2D and 3D stru...

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Main Authors: Jike Wang, Rui Qin, Mingyang Wang, Meijing Fang, Yangyang Zhang, Yuchen Zhu, Qun Su, Qiaolin Gou, Chao Shen, Odin Zhang, Zhenxing Wu, Dejun Jiang, Xujun Zhang, Huifeng Zhao, Jingxuan Ge, Zhourui Wu, Yu Kang, Chang-Yu Hsieh, Tingjun Hou
Format: Article
Language:English
Published: Nature Portfolio 2025-05-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-025-59628-y
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https://doi.org/10.1038/s41467-025-59628-y

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