Category

This is a category compound table for model Rat toxicity prediction with Predictive Clustering Trees.

IndexImageSMILESInChInameadrenal-gland-weight-increasedbody-weight-decreasedbone-marrowbrainclinchem-hepatotoxclinchem-nephrotoxcnsfemale-reproductive-organhaematology-anaemiahaematology-cellular-hemostasishaematology-plasmatic-hemostasishaematopoiesisintestinekidneykidney-weight-increasedliverliver-weight-increasedmale-accessory-glandmale-reproductive-organmale-reproductive-organ-spermmale-reproductive-organ-weight-decreasedmale-reproductive-organ-weight-increasedrbcspleenthymusthymus-weight-decreasedthyroid-glandwbc
12592-04-0450missingmissingmissingmissingactiveactivemissingmissingactivemissingmissingactivemissingmissingmissingactiveactivemissingmissingmissingmissingmissingactivemissingmissingmissingmissinginactive
617C(C)(C)(c1ccc(O)cc1)c2ccc(O)cc2InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3Bisphenol Amissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
657Oc1c(C(C)(C)C)cc(C)cc1Cc2cc(C)cc(C(C)(C)C)c2OInChI=1S/C23H32O2/c1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8/h9-12,24-25H,13H2,1-8H36,6'-Di-tert-butyl-2,2'-methylenedi-p-cresolactivemissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingactiveactivemissingactiveactivemissingmissingmissingmissingmissingmissingmissingmissing
74602-04-1523missingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactivemissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
76690-04-0229inactivemissingmissingmissingmissingmissingmissinginactivemissinginactiveinactiveinactiveinactiveactiveactiveactiveactiveactivemissingmissinginactivemissingactiveinactiveinactivemissingmissinginactive