Polymer Informatics at Scale with Multitask Graph Neural Networks
Sign Up to like & getrecommendations! Published in 2022 at "Chemistry of Materials"
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
Benchmarking Machine Learning Models for Polymer Informatics: An Example of Glass Transition Temperature.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.1c01031
Abstract: In the field of polymer informatics, utilizing machine learning (ML) techniques to evaluate the glass transition temperature Tg and other properties of polymers has attracted extensive attention. This data-centric approach is much more efficient and… read more here.
Keywords: machine; machine learning; polymer informatics; model ... See more keywords
Polymer Genome: A Data-Powered Polymer Informatics Platform for Property Predictions
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.8b02913
Abstract: The recent successes of the Materials Genome Initiative have opened up new opportunities for data-centric informatics approaches in several subfields of materials research, including in polymer science and engineering. Polymers, being inexpensive and possessing a… read more here.
Keywords: polymer genome; polymer informatics; data powered; powered polymer ... See more keywords