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
48CCCCC(COC(CS)=O)CCInChI=1S/C10H20O2S/c1-3-5-6-9(4-2)7-12-10(11)8-13/h9,13H,3-8H2,1-2H3Thioglycolic acid 2-ethylhexyl estermissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactive
50CC(OC1CC2CCC1(C2(C)C)C)=OInChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3Isobornyl acetatemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactiveinactiveinactiveinactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
13095-04-0745missinginactivemissingmissingmissingmissinginactivemissingmissingmissingmissingmissingactivemissingactiveactiveactivemissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissing
28099-05-0348missinginactivemissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingactiveinactivemissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactive
34595-07-0064activemissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingactive
37997-07-0116missingmissingmissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
638O=C(C=C)OCC(CC)CCCCInChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H32-Ethylhexyl acrylatemissingactivemissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
678C(C(Br)Br)(O)=OInChI=1S/C2H2Br2O2/c3-1(4)2(5)6/h1H,(H,5,6)Dibromoacetic acidmissingactivemissingmissingmissingmissingmissingmissingmissingactivemissinginactivemissingmissingactiveactiveactivemissingactiveactiveactivemissingactivemissingmissingactivemissingmissing
72400-06-1323missingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactiveactiveinactiveactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
74502-04-1478missingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingactive
75002-06-1540missingmissingmissingmissingmissingactivemissingmissingmissinginactivemissingmissingmissingmissingactiveactiveinactivemissingmissingmissinginactivemissingmissinginactivemissinginactivemissingmissing
76288-04-0123missingmissingmissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissingactiveactivemissingactivemissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissing
85597-06-0995missingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactiveactiveactiveactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing