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
20Oc1ccc(cc1)OInChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8HHydroquinonemissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissinginactivemissingactiveactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
257Oc1ccccc1InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7HPhenolmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
260c1(ccccc1)OInChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7HNonylphenolmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactiveactiveactiveactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
552Oc1cc(O)ccc1InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8HResorcinolactivemissingmissingmissingmissinginactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing