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
14798-04-1045missingmissingmissingmissingmissinginactivemissingmissingmissingactivemissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissinginactivemissingmissingmissingmissingactive
237c1cccc(c1C(OCc2ccccc2)=O)C(OCCCC)=OInChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3Butyl benzyl phthalatemissingactivemissingmissingmissingmissingmissingmissinginactivemissingmissingmissingactivemissingactiveinactiveactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
34695-07-0066missingmissingmissingmissingactiveactivemissingmissinginactiveinactivemissingmissingmissingmissinginactivemissinginactivemissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissing
56101-04-1408missingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
609C1(c2c(cccc2)C(O1)=O)(c1ccc(O)cc1)c1ccc(O)cc1InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22HPhenolphthaleinmissinginactivemissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
711O=C(C)OC2=C(CCCCCCCCCCCC)C(C1=C(C2=O)C=CC=C1)=OInChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3Acequinocylmissingmissingmissingmissingmissingmissingmissingmissingmissingactiveactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactive
74702-04-1544missingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
76790-04-0234missingmissingmissingmissingmissinginactiveactivemissingmissingmissingmissingmissingmissingactiveinactivemissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
77491-04-0347missingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissinginactivemissingactiveinactivemissinginactivemissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissing
80093-06-0532missingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingactiveactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing