Copolymer Informatics with Multi-Task Deep Neural Networks
@article{Kuenneth2021CopolymerIW, title={Copolymer Informatics with Multi-Task Deep Neural Networks}, author={Christopher Kuenneth and William Schertzer and Rampi Ramprasad}, journal={ArXiv}, year={2021}, volume={abs/2103.14174} }
Polymer informatics tools have been recently gaining ground to efficiently and effectively develop, design, and discover new polymers that meet specific application needs. So far, however, these data-driven efforts have largely focused on homopolymers. Here, we address the property prediction challenge for copolymers, extending the polymer informatics framework beyond homopolymers. Advanced polymer fingerprinting and deep-learning schemes that incorporate multi-task learning and meta-learning…
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