Sizing up feature descriptors for macromolecular machine learning with polymeric biomaterials

Abstract It has proved challenging to represent the behavior of polymeric macromolecules as machine learning features for biomaterial interaction prediction. There are several approaches to this representation, yet no consensus for a universal representational framework, in part due to the sensitivi...

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Bibliographic Details
Main Authors: Samantha Stuart, Jeffrey Watchorn, Frank X. Gu
Format: Article
Language:English
Published: Nature Portfolio 2023-06-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-023-01040-5