Improving the accuracy and generalizability of molecular property regression models with a substructure-substitution-rule-informed framework

Fuente: arXiv

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Bibliographic Details
Main Authors:	Fan, Xiaoyu, Guo, Lin, Jia, Ruizhen, Tian, Yang, Yang, Zhihao, Li, Weihao, Tian, Boxue
Format:	Preprint
Published:	2025
Subjects:	Machine Learning Artificial Intelligence
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2511.08314