On-demand reverse design of polymers with PolyTAO

Abstract The forward screening and reverse design of drug molecules, inorganic molecules, and polymers with enhanced properties are vital for accelerating the transition from laboratory research to market application. Specifically, due to the scarcity of large-scale datasets, the discovery of polyme...

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Bibliographic Details
Main Authors: Haoke Qiu, Zhao-Yan Sun
Format: Article
Language:English
Published: Nature Portfolio 2024-11-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-024-01466-5
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