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
7790-04-0293missingmissingmissingmissinginactiveactiveactivemissingactivemissingactivemissingmissingactiveactiveactiveactivemissingmissingmissingmissingmissingactivemissingmissingmissingactiveactive
8191-04-0393missingactivemissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissing
214C(C(c1ccc(Br)cc1)(c2ccc(Br)cc2)O)(OC(C)C)=OInChI=1S/C17H16Br2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3Bromopropylatemissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactiveactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactive
233ClC1=C(C2(C3C(C1(C2(Cl)Cl)Cl)C(OC3=O)=O)Cl)ClInChI=1S/C9H2Cl6O3/c10-3-4(11)8(13)2-1(5(16)18-6(2)17)7(3,12)9(8,14)15/h1-2Hchlorendic anhydridemissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissing
235CC1(C)C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(c(cc2)F)Oc3ccccc3InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3cyfluthrinmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
32000-07-0206missingmissingmissingmissingmissinginactiveinactivemissingmissingmissingmissingmissingactiveinactivemissingactiveactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
35196-03-0345missingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
38396-06-0845activemissingmissinginactivemissingactiveactiveactivemissingmissingmissingmissingmissingactiveactivemissingactivemissingactiveactiveactivemissingmissingactivemissinginactivemissingmissing
45901-04-1383missingmissingmissingmissingmissingmissingmissingmissingmissinginactiveinactivemissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
75603-04-1640missinginactivemissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissinginactiveinactivemissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissing
78292-04-0469missingmissingmissingmissingmissingactivemissingactivemissingmissingmissingmissingmissingmissingactivemissingactivemissingactivemissingmissingmissingactivemissingmissingmissingmissingmissing