Additional file 5. Bioactivities, cytotoxicities and Tanimoto similarities of the Diverse set
Additional file 4: Table S1. Partial biomarker proteins identified in each inhibitor-treated group
Additional file 5: Table S5. The whole list of structural pairs of the identified MMPs and MOA-cliff...
© 2014 American Chemical Society. We herein report the design and synthesis of the first nanomolar b...
Additional file 6. Bioactivities, cytotoxicities and Tanimoto similarities of the Cluster set
Additional file 2. Schematic overview of the experimental workflow of this study
Additional file 4. T-SNE representation of actives and inactives of selected compounds compared to t...
Additional file 7. Cluster centers and distribution of physicochemical properties of hSGLT1 active c...
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 10: Table S8-1. Sequence similarity descriptors based on 30 NR proteins (T1). Table ...
Additional file 4: Table S3. Model performance of random forest classifier on four protein descripto...
Additional file 9: Table S7. Information of crystal structure used for descriptor generation
Additional file 11: Table S9-1. Sequence similarity descriptors based on 5 NR proteins (T3). Table S...
Additional file 5: Figure S3. Characterization of HeLa rtTA HIVGagGFP cell line. a Representative im...
Additional file 4: Table S1. Partial biomarker proteins identified in each inhibitor-treated group
Additional file 5: Table S5. The whole list of structural pairs of the identified MMPs and MOA-cliff...
© 2014 American Chemical Society. We herein report the design and synthesis of the first nanomolar b...
Additional file 6. Bioactivities, cytotoxicities and Tanimoto similarities of the Cluster set
Additional file 2. Schematic overview of the experimental workflow of this study
Additional file 4. T-SNE representation of actives and inactives of selected compounds compared to t...
Additional file 7. Cluster centers and distribution of physicochemical properties of hSGLT1 active c...
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 10: Table S8-1. Sequence similarity descriptors based on 30 NR proteins (T1). Table ...
Additional file 4: Table S3. Model performance of random forest classifier on four protein descripto...
Additional file 9: Table S7. Information of crystal structure used for descriptor generation
Additional file 11: Table S9-1. Sequence similarity descriptors based on 5 NR proteins (T3). Table S...
Additional file 5: Figure S3. Characterization of HeLa rtTA HIVGagGFP cell line. a Representative im...
Additional file 4: Table S1. Partial biomarker proteins identified in each inhibitor-treated group
Additional file 5: Table S5. The whole list of structural pairs of the identified MMPs and MOA-cliff...
© 2014 American Chemical Society. We herein report the design and synthesis of the first nanomolar b...
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