Additional file 3 of Comparison and improvement of the predictability and interpretability with ensemble learning models in QSPR applications
Chia-Hsiu Chen
Kenichi Tanaka
Masaaki Kotera
Kimito Funatsu
10.6084/m9.figshare.12050829.v1
https://springernature.figshare.com/articles/dataset/Additional_file_3_of_Comparison_and_improvement_of_the_predictability_and_interpretability_with_ensemble_learning_models_in_QSPR_applications/12050829
Additional file 3. The training set of fluorescence with descriptors.
2020-03-31 03:44:26
QSPR
Quantitative structure–property
Fluorescence
Liquid crystal
Ensemble learning
Blending
Decision tree
Random forest
Extremely randomized trees