| dc.contributor.author | Aldeghi, Matteo | |
| dc.contributor.author | Coley, Connor W | |
| dc.date.accessioned | 2022-10-27T13:10:13Z | |
| dc.date.available | 2022-10-27T13:10:13Z | |
| dc.date.issued | 2022-05-17 | |
| dc.identifier.uri | https://hdl.handle.net/1721.1/146009 | |
| dc.description.abstract | <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> | en_US |
| dc.language.iso | en | |
| dc.publisher | Royal Society of Chemistry (RSC) | en_US |
| dc.relation.isversionof | 10.1039/d2sc02839e | en_US |
| dc.rights | Creative Commons Attribution NonCommercial License 3.0 | en_US |
| dc.rights.uri | https://creativecommons.org/licenses/by-nc/3.0/ | en_US |
| dc.source | Royal Society of Chemistry (RSC) | en_US |
| dc.title | A graph representation of molecular ensembles for polymer property prediction | en_US |
| dc.type | Article | en_US |
| dc.identifier.citation | Aldeghi, Matteo and Coley, Connor W. 2022. "A graph representation of molecular ensembles for polymer property prediction." Chemical Science, 13 (35). | |
| dc.contributor.department | Massachusetts Institute of Technology. Department of Chemical Engineering | en_US |
| dc.contributor.department | Massachusetts Institute of Technology. Department of Electrical Engineering and Computer Science | en_US |
| dc.relation.journal | Chemical Science | en_US |
| dc.eprint.version | Final published version | en_US |
| dc.type.uri | http://purl.org/eprint/type/JournalArticle | en_US |
| eprint.status | http://purl.org/eprint/status/PeerReviewed | en_US |
| dc.date.updated | 2022-10-27T13:05:00Z | |
| dspace.orderedauthors | Aldeghi, M; Coley, CW | en_US |
| dspace.date.submission | 2022-10-27T13:05:01Z | |
| mit.journal.volume | 13 | en_US |
| mit.journal.issue | 35 | en_US |
| mit.license | PUBLISHER_CC | |
| mit.metadata.status | Authority Work and Publication Information Needed | en_US |
