E-LIB Suche - Ergebnisse für: de Angelo, Rafaela M.

1

Enzyme-Catalyzed Spiroacetal Formation in Polyketide Antibi..:

Bilyk, Oksana ; Oliveira, Gabriel S. ; de Angelo, Rafaela M....
Journal of the American Chemical Society. 144 (2022) 32 - p. 14555-14563 , 2022

Link: https://doi.org/10.1021/..

2

Evaluating Deep Learning models for predicting ALK-5 inhibi..:

Espinoza, Gabriel Z. ; Angelo, Rafaela M. ; Oliveira, Patricia R...
PLOS ONE. 16 (2021) 1 - p. e0246126 , 2021

Link: https://doi.org/10.1371/..

3

OntoQSAR: an Ontology for Interpreting Chemical and Biologi..:

, In: 2020 IEEE 14th International Conference on Semantic Computing (ICSC),

Angelo, Rafaela M. ; Io, Andreia K. ; Almeida, Matheus P.... - p. 203-206 , 2020

Link: https://doi.org/10.1109/..

4

Drug design of new 5-HT6 antagonists: a QSAR study of aryls..:

da Silva, Aldineia P. ; de Angelo, Rafaela M. ; de Paula, Heberth..
Structural Chemistry. 31 (2020) 4 - p. 1585-1597 , 2020

Link: https://doi.org/10.1007/..

5

Evaluating Deep Learning models for predicting ALK-5 inhibi..:

Gabriel Z Espinoza ; Rafaela M Angelo ; Patricia R Oliveira.
https://doi.org/10.1371/journal.pone.0246126. , 2021

Link: https://doi.org/10.1371/..

6

Biplot of the PCA analysis with all ten variables for all t..:

Gabriel Z. Espinoza (10047870) ; Rafaela M. Angelo (10047873) ; Patricia R. Oliveira (10047876).
https://figshare.com/articles/figure/Biplot_of_the_PCA_analysis_with_all_ten_variables_for_all_training_molecules_loadings_are_out_of_scale_/13659186. , 2021

Link: https://doi.org/10.1371/..

7

Summary of the grid search process used to select the hyper..:

Gabriel Z. Espinoza (10047870) ; Rafaela M. Angelo (10047873) ; Patricia R. Oliveira (10047876).
https://figshare.com/articles/figure/Summary_of_the_grid_search_process_used_to_select_the_hyperparameters_for_the_SVR_model_/13659171. , 2021

Link: https://doi.org/10.1371/..

8

Scatter plots and regression lines obtained by the cross-va..:

Gabriel Z. Espinoza (10047870) ; Rafaela M. Angelo (10047873) ; Patricia R. Oliveira (10047876).
https://figshare.com/articles/figure/Scatter_plots_and_regression_lines_obtained_by_the_cross-validation_procedure_using_DNN_RF_and_SVR_actual_versus_predicted_pIC_sub_50_sub_/13659177. , 2021

Link: https://doi.org/10.1371/..

9

Summary of the grid search process for choosing the hyperpa..:

Gabriel Z. Espinoza (10047870) ; Rafaela M. Angelo (10047873) ; Patricia R. Oliveira (10047876).
https://figshare.com/articles/figure/Summary_of_the_grid_search_process_for_choosing_the_hyperparameters_for_the_Deep_Neural_Network_/13659165. , 2021

Link: https://doi.org/10.1371/..

10

Actual and predicted pIC 50 for the external validation fro..:

Gabriel Z. Espinoza (10047870) ; Rafaela M. Angelo (10047873) ; Patricia R. Oliveira (10047876).
https://figshare.com/articles/figure/Actual_and_predicted_pIC_sub_50_sub_for_the_external_validation_from_DNN_RF_and_SVR_models_/13659189. , 2021

Link: https://doi.org/10.1371/..

11

Studentized residuals vs. leverage values for the DNN regre..:

Gabriel Z. Espinoza (10047870) ; Rafaela M. Angelo (10047873) ; Patricia R. Oliveira (10047876).
https://figshare.com/articles/figure/Studentized_residuals_vs_leverage_values_for_the_DNN_regression_/13659180. , 2021

Link: https://doi.org/10.1371/..

12

Workflow for the methods used in this work to curate data a..:

Gabriel Z. Espinoza (10047870) ; Rafaela M. Angelo (10047873) ; Patricia R. Oliveira (10047876).
https://figshare.com/articles/figure/Workflow_for_the_methods_used_in_this_work_to_curate_data_and_train_regression_models_/13659159. , 2021

Link: https://doi.org/10.1371/..

13

MSE values obtained for the models trained on different num..:

Gabriel Z. Espinoza (10047870) ; Rafaela M. Angelo (10047873) ; Patricia R. Oliveira (10047876).
https://figshare.com/articles/figure/MSE_values_obtained_for_the_models_trained_on_different_numbers_of_features_following_Sequential_Backward_Floating_Selection_with_a_95_confidence_interval_/13659174. , 2021

Link: https://doi.org/10.1371/..

14

Performance measures for the ML models calculated on test a..:

Gabriel Z. Espinoza (10047870) ; Rafaela M. Angelo (10047873) ; Patricia R. Oliveira (10047876).
https://figshare.com/articles/dataset/Performance_measures_for_the_ML_models_calculated_on_test_and_validation_sets_/13659192. , 2021

Link: https://doi.org/10.1371/..

15

Summary of the grid search process for choosing the hyperpa..:

Gabriel Z. Espinoza (10047870) ; Rafaela M. Angelo (10047873) ; Patricia R. Oliveira (10047876).
https://figshare.com/articles/figure/Summary_of_the_grid_search_process_for_choosing_the_hyperparameters_for_the_RF_model_/13659168. , 2021

Link: https://doi.org/10.1371/..