Polymer descriptor data set for machine learning prediction of specific heat

DOI

We have developed a polymer descriptor data set from the existing data. The data set has 188 descriptors which describe polymer atomic and molecular behavior. The descriptors are mapped to the specific heat of polymers using supervised and unsupervised machine learning approaches. The mapping helps predict the specific heat of polymers at room temperature. The descriptor data set is useful in synthesizing novel polymers with desired heat capacities.

Identifier
DOI https://doi.org/10.24435/materialscloud:43-js
Related Identifier https://doi.org/10.1016/j.polymer.2021.123558
Related Identifier https://www.sciencedirect.com/science/article/abs/pii/S0032386121001816
Related Identifier https://archive.materialscloud.org/communities/mcarchive
Related Identifier https://doi.org/10.24435/materialscloud:yq-wd
Metadata Access https://archive.materialscloud.org/oai2d?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai:materialscloud.org:1146
Provenance
Creator Bhowmik, Rahul; Sihn, Sangwook; Pachter, Ruth; Vernon, Jonathan
Publisher Materials Cloud
Contributor Bhowmik, Rahul; Sihn, Sangwook; Pachter, Ruth; Vernon, Jonathan
Publication Year 2021
Rights info:eu-repo/semantics/openAccess; Creative Commons Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/legalcode
OpenAccess true
Contact archive(at)materialscloud.org
Representation
Language English
Resource Type info:eu-repo/semantics/other
Format text/csv; text/markdown; text/plain; application/zip
Discipline Materials Science and Engineering