Parameter All_parametervariables wide_selection_of_biology_and_chemistry_variables chemistry_variables biology_variables few_selected_biology_variables Experiment Sensitivity 0.98894661 0.58980878 0.98850448 0.50712944 0.4587156 Rpart Specificity 0.99125856 0.96096191 0.99122345 0.93754608 0.94653326 Rpart Pos Pred Value 0.97292301 0.82754342 0.9728054 0.72059054 0.73153534 Rpart Neg Pred Value 0.99647092 0.88061382 0.99633015 0.85692283 0.84629147 Rpart Precision 0.97292301 0.82754342 0.9728054 0.72059054 0.73153534 Rpart Recall 0.98894661 0.58980878 0.98850448 0.50712944 0.4587156 Rpart F1 0.98086937 […]

Decision Trees, confusion matrixes. Each individual chart shows represents the confusion matrix where the beyond the indicated percentage of active instances for each molecule this is predicted as active against Breast Cancer.     Decision Trees, evaluation of performance statistics.  Rpart using different datasets with different weights on biology and chemistry The usage of the […]

Selected data come from 9 different proliferation assays performed in 9 representative BrCa cell lines as depicted in figure below   This is the activity distribution profile in all breast cancer assay of all events recorded in the database. These are more than 200k records from approximately 28k unique compounds   These 28k compounds have […]