Instruction multi-constraint molecular generation using a teacher-student large language model

Instruction multi-constraint molecular generation using a teacher-student large language model

Abstract Background While various models and computational tools have been proposed for structure and property analysis of molecules, generating molecules that conform to all desired structures and properties remains a challenge. Results We introduce a multi-constraint molecular generation large lan...

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Main Authors: Peng Zhou, Jianmin Wang, Chunyan Li, Zixu Wang, Yiping Liu, Siqi Sun, Jianxin Lin, Leyi Wei, Xibao Cai, Houtim Lai, Wei Liu, Longyue Wang, Yuansheng Liu, Xiangxiang Zeng
Format: Article
Language:English
Published: BMC 2025-04-01
Series:BMC Biology
Subjects:
Molecular generation
Large language model
Multi-constraint
Online Access:https://doi.org/10.1186/s12915-025-02200-3
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https://doi.org/10.1186/s12915-025-02200-3

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