Polymer Informatics at Scale with Multitask Graph Neural Networks
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DOI: 10.1021/acs.chemmater.2c02991
Abstract: Artificial intelligence-based methods are becoming increasingly effective at screening libraries of polymers down to a selection that is manageable for experimental inquiry. The vast majority of presently adopted approaches for polymer screening rely on handcrafted… read more here.
Keywords: informatics scale; neural networks; scale multitask; graph neural ... See more keywords