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
13392-04-0457inactivemissingmissingmissinginactivemissinginactivemissingmissingmissingmissingmissingmissingmissingmissingactiveactivemissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissing
196CCCOCC(OCC(O)C)CInChI=1S/C9H20O3/c1-4-5-11-7-9(3)12-6-8(2)10/h8-10H,4-7H2,1-3H3Dipropylene glycol (mono) propyl ethermissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
424CCCCOCCOInChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3Ethylene glycol (mono) n-butyl ethermissinginactiveactivemissingmissinginactiveinactiveinactiveactivemissingmissingmissingmissinginactiveactiveactiveinactivemissingmissinginactiveinactivemissingmissinginactiveinactiveinactivemissinginactive
526OCCOCCCCCCInChI=1S/C8H18O2/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3Ethylene glycol (mono) n-hexyl ethermissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
652OCCOCCOCCCCInChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3Diethylene glycol butyl ethermissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactiveinactiveinactivemissingmissingmissingmissingmissinginactiveinactivemissingmissingmissingmissing
686CCCOCC(O)CInChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3Propylene glycol n-propyl ethermissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing