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
3O=CC=C(C)CInChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H33-Methyl-2-butenalmissinginactivemissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
524CC(C=O)=CInChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3Methacroleinmissingactivemissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
545O=CC=CC=CCInChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H32,4-Hexadienalmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactivemissinginactivemissingmissingmissingmissingmissingactiveinactiveinactivemissingmissingmissingmissing
550C=CC=OInChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2Acroleinmissingactiveactivemissingmissingactiveactivemissingactiveactivemissingmissingmissingactivemissingmissingactivemissingmissingmissingmissingmissingactiveactiveactiveactivemissingactive
79893-04-0657missingmissingmissingmissingmissingmissingactivemissingmissingmissinginactivemissingmissingactivemissinginactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing