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
603ClC(Cl)ClInChI=1S/CHCl3/c2-1(3)4/h1HChloroformmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactiveactiveactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
648ClCCCCInChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H31-Chlorobutanemissinginactivemissingmissingmissingmissinginactivemissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
689C(F)(Cl)(Cl)CInChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H31,1-Dichloro-1-fluoroethanemissinginactivemissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing