Machine learning with quantum chemistry descriptors: predicting the solubility of small-molecule optoelectronic materials for organic solar cells
Chuang Yao, Xin Li, Yezi Yang, Lei Li, Maolin Bo, Cheng Peng, Jinshan Wang
Abstract
A general solution prediction model was developed by using the smallest set of quantum chemistry descriptors.
Topics & Concepts
SolubilityOrganic solar cellMoleculeOrganic moleculesMaterials scienceChemistryNanotechnologyOptoelectronicsOrganic chemistryPolymerMachine Learning in Materials ScienceOrganic Electronics and PhotovoltaicsConducting polymers and applications