Additional file 4: Table S3. Model performance of random forest classifier on four protein descriptors
Additional file 11. The 14 training sets used for study which is derived from AID 1721, a high throu...
Additional file 1: Table S1. List of few molecular descriptors generating software packages
Additional file 4: Table S2. Statistical output for GSEA (gene set enrichment analysis). Nominal p-...
Additional file 5: Table S4. Data distribution of training set, testing set and external validation ...
Additional file 1: Table S1. 10-fold cross-validation results of different machine learning methods ...
Additional file 3: Table S2. Importance and P value of top 10 chemical structure descriptors
Additional file 11: Table S9-1. Sequence similarity descriptors based on 5 NR proteins (T3). Table S...
Additional file 10: Table S8-1. Sequence similarity descriptors based on 30 NR proteins (T1). Table ...
Additional file 9: Table S7. Information of crystal structure used for descriptor generation
Abstract Nuclear receptors (NR) are a class of proteins that are responsible for sensing steroid and...
Additional file 12. The active molecules from AID 2559 and 2561 were considered as the test set. The...
Additional file 2. Schematic overview of the experimental workflow of this study
Additional file 10: Figure S9. Optimization of mtry for random forest model using tripeptide composi...
Additional file 11: Figure S10. Optimization of ntree for random forest model using tripeptide compo...
Additional file 6. Bioactivities, cytotoxicities and Tanimoto similarities of the Cluster set
Additional file 11. The 14 training sets used for study which is derived from AID 1721, a high throu...
Additional file 1: Table S1. List of few molecular descriptors generating software packages
Additional file 4: Table S2. Statistical output for GSEA (gene set enrichment analysis). Nominal p-...
Additional file 5: Table S4. Data distribution of training set, testing set and external validation ...
Additional file 1: Table S1. 10-fold cross-validation results of different machine learning methods ...
Additional file 3: Table S2. Importance and P value of top 10 chemical structure descriptors
Additional file 11: Table S9-1. Sequence similarity descriptors based on 5 NR proteins (T3). Table S...
Additional file 10: Table S8-1. Sequence similarity descriptors based on 30 NR proteins (T1). Table ...
Additional file 9: Table S7. Information of crystal structure used for descriptor generation
Abstract Nuclear receptors (NR) are a class of proteins that are responsible for sensing steroid and...
Additional file 12. The active molecules from AID 2559 and 2561 were considered as the test set. The...
Additional file 2. Schematic overview of the experimental workflow of this study
Additional file 10: Figure S9. Optimization of mtry for random forest model using tripeptide composi...
Additional file 11: Figure S10. Optimization of ntree for random forest model using tripeptide compo...
Additional file 6. Bioactivities, cytotoxicities and Tanimoto similarities of the Cluster set
Additional file 11. The 14 training sets used for study which is derived from AID 1721, a high throu...
Additional file 1: Table S1. List of few molecular descriptors generating software packages
Additional file 4: Table S2. Statistical output for GSEA (gene set enrichment analysis). Nominal p-...
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