2019
DOI: 10.1002/minf.201900038
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Property Prediction of Organic Donor Molecules for Photovoltaic Applications Using Extremely Randomized Trees

Abstract: Organic solar cells are an inexpensive, flexible alternative to traditional silicon-based solar cells but disadvantaged by low power conversion efficiency due to empirical design and complex manufacturing processes. This process can be accelerated by generating a comprehensive set of potential candidates. However, this would require a laborious trial and error method of modeling all possible polymer configurations. A machine learning model has the potential to accelerate the process of screening potential dono… Show more

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Cited by 33 publications
(24 citation statements)
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“…It has the advantages of RF and BDT and seems to be suitable for classification of objects with complex heterogeneity [39]. As a typical classification and regression method, the ERT model is mainly applied to medical science, biology, and atmospheric science [40][41][42]. At present, the model has not been used for the classification of Earth surface features.…”
Section: Introductionmentioning
confidence: 99%
“…It has the advantages of RF and BDT and seems to be suitable for classification of objects with complex heterogeneity [39]. As a typical classification and regression method, the ERT model is mainly applied to medical science, biology, and atmospheric science [40][41][42]. At present, the model has not been used for the classification of Earth surface features.…”
Section: Introductionmentioning
confidence: 99%
“…The results of the AUC curve, MSE criteria, and the number of eroded points in high and very high susceptibility classes indicate that the RF model had a better performance than the SVM and Adaboost models. The ability and accuracy of the RF model in mapping soil erosion susceptibility is mentioned in other studies [86,87]. The three models show different results when it comes to identifying the extent of high and very high soil erosion susceptibilities.…”
Section: Model Outputs and Performancementioning
confidence: 92%
“…Guertz et al proposed ERT method in 2006 [44], which has been widely applied in various fields [45][46][47][48][49][50][51]. A brief description of how we implemented ERT in this study has been described previously [52,53].…”
Section: Extremely Randomized Treementioning
confidence: 99%