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
17794-06-0568inactivemissingmissingmissingactiveinactivemissingmissingmissingmissingmissingmissingmissingmissinginactiveinactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactive
36196-07-0088missinginactivemissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactive
384c12c(cc(cc2O)O)C=CCCCC(=O)CCC[C@@H](OC1=O)CInChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/t12-/m0/s1Zeralenonemissingactivemissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingactiveactiveactivemissingmissingmissingmissingmissingmissingmissingmissing
513c1(C(OCCCC)=O)ccccc1C(OCCCC)=OInChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3Di-n-butyl phthalatemissinginactivemissingmissingmissingmissingmissingmissinginactiveinactivemissingmissingmissingmissinginactiveinactiveinactivemissinginactiveinactiveinactivemissinginactivemissingmissingmissingmissingmissing