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Electronic, redox, and optical property prediction of organic π-conjugated molecules through a hierarchy of machine learning approaches
Bhat, Vinayak; Sornberger, Parker; Pokuri, Balaji Sesha Sarath; Duke, Rebekah; Ganapathysubramanian, Baskar; Risko, Chad
machine learning
molecular structures
Organizations
MDF Open
Year
2022
Source Name
ocelotml_2d
Contacts
ocelot@l.uky.edu
DOI
10.18126/3ilu-3f69
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Trained machine learning models on the
ocelot_chromophore_v1 dataset
.