fig6

Accelerated discovery of high-performance small-molecule hole transport materials via molecular splicing, high-throughput screening, and machine learning

Figure 6. The true values and ML predicted values for (A) Hole reorganization energy, (B) Solvation free energy, (C) Maximum absorption, and (D) LogP based on the GBDT model, respectively. ML: Machine learning; GBDT: gradient boosted decision tree.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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