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
24COC(C)(C)CInChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3Methyl-tertiary-butyl etherinactiveinactivemissingmissinginactiveinactiveinactivemissinginactivemissingmissingmissingmissinginactiveinactivemissinginactivemissingmissingmissingmissingmissinginactivemissingmissingmissingmissinginactive
16191-04-0395inactivemissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissinginactivemissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
210O=CCCSCInChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H33-(Methylthio) propionaldehydemissinginactivemissingmissingmissingactivemissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissinginactive
304C(CCC(C)=O)(C)CInChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3Methyl Isoamyl Ketonemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactiveinactiveinactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
646CC(CC(=O)C)CInChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3Methyl isobutyl ketonemissingmissingmissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissinginactivemissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactive
683C(CC)(OC)(C)CInChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H32-Methoxy-2-Methylbutaneinactiveinactivemissinginactivemissinginactiveinactivemissingmissinginactiveinactivemissingmissingmissingmissingmissinginactivemissingmissingmissingmissinginactiveinactivemissingmissingmissingmissingmissing