Fast and effective molecular property prediction with transferability map

Abstract Effective transfer learning for molecular property prediction has shown considerable strength in addressing insufficient labeled molecules. Many existing methods either disregard the quantitative relationship between source and target properties, risking negative transfer, or require intens...

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Bibliographic Details
Main Authors: Shaolun Yao, Jie Song, Lingxiang Jia, Lechao Cheng, Zipeng Zhong, Mingli Song, Zunlei Feng
Format: Article
Language:English
Published: Nature Portfolio 2024-04-01
Series:Communications Chemistry
Online Access:https://doi.org/10.1038/s42004-024-01169-4