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
528CC(C)=CCCC(=O)CInChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H36-Methylhept-5-en-2-onemissinginactivemissingmissinginactiveinactiveinactivemissingmissinginactivemissingmissingmissingmissingactiveinactiveinactivemissinginactiveinactivemissingmissingmissingmissingmissingmissingmissingmissing
611C1(=O)CC(C)(C)CC(=C1)CInChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3Isophoronemissingactivemissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingactive
621CC(=C1CCC(C)CC1=O)CInChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3Pulegonemissingactivemissingactivemissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactive