Principal Component Analysis

Principal Component Analysis (PCA) is a dimension reduction technique useful for visualizing chemical space. Select a dataset and click "Perform PCA" to visualize its chemical space. Chemicals will be colored according to their assigned activity (active, 1: red; inactive, 0: blue).

Select dataset: 2nd_mrp1 AID_1000 AID_1000_curated AID_1001 AID_743122_CU_ND AID_743122_CU_ND_curated AMES_curated ER_CIDs ER_CIDs_1 ER_CIDs_2 Hepatotoxicity_curated ToTest_AID_1259248 Training_OcTox Training_OcTox_curated csv_UploadDataset csv_UploadDataset_1 csv_UploadDataset_Expanded mrp1_test sample_dataset sample_dataset_1 test_UploadDataset test_UploadDataset_curated test_UploadDataset_curated_curated