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
45899-04-1139missingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingactiveinactivemissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
518CC(CCO)CInChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H33-Methylbutanol-1missingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissing
533CC(O)COC(C)(C)CInChI=1S/C7H16O2/c1-6(8)5-9-7(2,3)4/h6,8H,5H2,1-4H3Propylene glycol tert-butyl ethermissingmissingmissingmissingactiveinactivemissingmissingmissinginactivemissingmissingmissingmissingactivemissingactivemissingmissingmissingmissingmissinginactivemissingmissingmissingmissingactive
59297-06-0897missingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissinginactiveinactiveinactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactive
715C(CCO[C@@H](COC(C)(C)C)C)OInChI=1S/C10H22O3/c1-9(12-7-5-6-11)8-13-10(2,3)4/h9,11H,5-8H2,1-4H3/t9-/m1/s1Dipropylene glycol tert-butyl etherinactivemissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissinginactiveinactiveinactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing