├── 1. Main ├── alg_template.m ├── calculate_auc.m ├── calculate_aupr.m ├── crossValidation.m ├── data │ ├── e_admat_dgc.txt │ ├── e_simmat_dc.txt │ ├── e_simmat_dg.txt │ ├── gpcr_admat_dgc.txt │ ├── gpcr_simmat_dc.txt │ ├── gpcr_simmat_dg.txt │ ├── ic_admat_dgc.txt │ ├── ic_simmat_dc.txt │ ├── ic_simmat_dg.txt │ ├── nr_admat_dgc.txt │ ├── nr_simmat_dc.txt │ └── nr_simmat_dg.txt ├── getGipKernel.m ├── getParameters.m ├── getdata.m ├── kbmf2k │ ├── kbmf2k_semisupervised_classification_variational_test.m │ ├── kbmf2k_semisupervised_classification_variational_train.m │ ├── kbmf2k_semisupervised_regression_variational_test.m │ ├── kbmf2k_semisupervised_regression_variational_train.m │ ├── kbmf2k_supervised_classification_variational_test.m │ ├── kbmf2k_supervised_classification_variational_train.m │ ├── kbmf2k_supervised_regression_variational_test.m │ └── kbmf2k_supervised_regression_variational_train.m ├── nfold.m ├── preprocess_WNN.m ├── printStoredResults.m ├── start.m └── start_grid_search.m ├── 2. Feature-based Methods ├── alg_template.m ├── calculate_auc.m ├── crossValidation.m ├── data │ └── where to obtain.txt ├── generateFeatures.m ├── generateTrainingSet.m ├── getCVindices.m ├── getGipKernel.m ├── printStoredResults.m └── start.m └── README.md /1. Main/alg_template.m: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/alizat/Chemogenomic-DTI-Prediction-Methods/HEAD/1. Main/alg_template.m -------------------------------------------------------------------------------- /1. Main/calculate_auc.m: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/alizat/Chemogenomic-DTI-Prediction-Methods/HEAD/1. Main/calculate_auc.m -------------------------------------------------------------------------------- /1. Main/calculate_aupr.m: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/alizat/Chemogenomic-DTI-Prediction-Methods/HEAD/1. Main/calculate_aupr.m -------------------------------------------------------------------------------- /1. Main/crossValidation.m: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/alizat/Chemogenomic-DTI-Prediction-Methods/HEAD/1. Main/crossValidation.m -------------------------------------------------------------------------------- /1. Main/data/e_admat_dgc.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/alizat/Chemogenomic-DTI-Prediction-Methods/HEAD/1. Main/data/e_admat_dgc.txt -------------------------------------------------------------------------------- /1. Main/data/e_simmat_dc.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/alizat/Chemogenomic-DTI-Prediction-Methods/HEAD/1. Main/data/e_simmat_dc.txt -------------------------------------------------------------------------------- /1. Main/data/e_simmat_dg.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/alizat/Chemogenomic-DTI-Prediction-Methods/HEAD/1. Main/data/e_simmat_dg.txt -------------------------------------------------------------------------------- /1. Main/data/gpcr_admat_dgc.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/alizat/Chemogenomic-DTI-Prediction-Methods/HEAD/1. Main/data/gpcr_admat_dgc.txt -------------------------------------------------------------------------------- /1. Main/data/gpcr_simmat_dc.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/alizat/Chemogenomic-DTI-Prediction-Methods/HEAD/1. Main/data/gpcr_simmat_dc.txt -------------------------------------------------------------------------------- /1. Main/data/gpcr_simmat_dg.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/alizat/Chemogenomic-DTI-Prediction-Methods/HEAD/1. Main/data/gpcr_simmat_dg.txt -------------------------------------------------------------------------------- /1. Main/data/ic_admat_dgc.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/alizat/Chemogenomic-DTI-Prediction-Methods/HEAD/1. Main/data/ic_admat_dgc.txt -------------------------------------------------------------------------------- /1. Main/data/ic_simmat_dc.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/alizat/Chemogenomic-DTI-Prediction-Methods/HEAD/1. Main/data/ic_simmat_dc.txt -------------------------------------------------------------------------------- /1. Main/data/ic_simmat_dg.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/alizat/Chemogenomic-DTI-Prediction-Methods/HEAD/1. Main/data/ic_simmat_dg.txt -------------------------------------------------------------------------------- /1. Main/data/nr_admat_dgc.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/alizat/Chemogenomic-DTI-Prediction-Methods/HEAD/1. Main/data/nr_admat_dgc.txt -------------------------------------------------------------------------------- /1. Main/data/nr_simmat_dc.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/alizat/Chemogenomic-DTI-Prediction-Methods/HEAD/1. Main/data/nr_simmat_dc.txt -------------------------------------------------------------------------------- /1. Main/data/nr_simmat_dg.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/alizat/Chemogenomic-DTI-Prediction-Methods/HEAD/1. Main/data/nr_simmat_dg.txt -------------------------------------------------------------------------------- /1. Main/getGipKernel.m: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/alizat/Chemogenomic-DTI-Prediction-Methods/HEAD/1. Main/getGipKernel.m -------------------------------------------------------------------------------- /1. Main/getParameters.m: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/alizat/Chemogenomic-DTI-Prediction-Methods/HEAD/1. Main/getParameters.m -------------------------------------------------------------------------------- /1. Main/getdata.m: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/alizat/Chemogenomic-DTI-Prediction-Methods/HEAD/1. Main/getdata.m -------------------------------------------------------------------------------- /1. Main/kbmf2k/kbmf2k_semisupervised_classification_variational_test.m: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/alizat/Chemogenomic-DTI-Prediction-Methods/HEAD/1. Main/kbmf2k/kbmf2k_semisupervised_classification_variational_test.m -------------------------------------------------------------------------------- /1. 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Main/nfold.m: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/alizat/Chemogenomic-DTI-Prediction-Methods/HEAD/1. Main/nfold.m -------------------------------------------------------------------------------- /1. Main/preprocess_WNN.m: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/alizat/Chemogenomic-DTI-Prediction-Methods/HEAD/1. Main/preprocess_WNN.m -------------------------------------------------------------------------------- /1. Main/printStoredResults.m: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/alizat/Chemogenomic-DTI-Prediction-Methods/HEAD/1. Main/printStoredResults.m -------------------------------------------------------------------------------- /1. 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