A graph representation of molecular ensembles for polymer property prediction
<jats:p>A graph representation that captures critical features of polymeric materials and an associated graph neural network achieve superior accuracy to off-the-shelf cheminformatics methodologies.</jats:p>
| Main Authors: | , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
Royal Society of Chemistry (RSC)
2022
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| Online Access: | https://hdl.handle.net/1721.1/146009 |