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
9COCInChI=1S/C2H6O/c1-3-2/h1-2H3Dimethyl ethermissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactive
27C1OCCOC1InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H21,4-Dioxanemissinginactivemissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissinginactiveinactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
204O1C(CC)C1InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3Epoxybutanemissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
534C1COCC1InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2Tetrahydrofuranmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissinginactiveinactivemissinginactivemissinginactive
597CCOCCInChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3Diethyl ethermissinginactivemissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactivemissinginactivemissingmissingmissingmissinginactiveinactiveinactivemissingmissingmissingmissing
644COC=CInChI=1S/C3H6O/c1-3-4-2/h3H,1H2,2H3Vinyl methyl ethermissinginactivemissingmissingmissingmissinginactivemissingmissingmissinginactivemissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing