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
403c1ccco1InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4HFuranmissingactivemissingmissingmissingmissinginactiveactivemissingmissingmissingmissingmissingactiveactiveactiveactivemissinginactivemissingmissingmissingmissingmissinginactiveactivemissingmissing
407c1ccccn1InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5HPyridinemissingactivemissingmissingmissingmissingmissinginactiveactiveactivemissingmissingmissingmissingactiveactiveactivemissingmissingmissinginactiveactiveactivemissingmissingmissingmissingmissing
530OCc1occc1InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2Furfuryl alcoholmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissing
540[nH]1ccnc1InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)Imidazolmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactiveinactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing