Meta-learning for transformer-based prediction of potent compounds

Abstract For many machine learning applications in drug discovery, only limited amounts of training data are available. This typically applies to compound design and activity prediction and often restricts machine learning, especially deep learning. For low-data applications, specialized learning st...

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Bibliographic Details
Main Authors: Hengwei Chen, Jürgen Bajorath
Format: Article
Language:English
Published: Nature Portfolio 2023-09-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-023-43046-5