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
38CCOP(OCC)OCCInChI=1S/C6H15O3P/c1-4-7-10(8-5-2)9-6-3/h4-6H2,1-3H3Triethylphosphiteinactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactivemissinginactivemissingmissingmissingmissingmissinginactivemissingmissingmissingmissinginactive
39CCOP(OCC)=OInChI=1S/C4H11O3P/c1-3-6-8(5)7-4-2/h8H,3-4H2,1-2H3Diethylphosphitemissinginactivemissingmissinginactivemissinginactivemissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissing
5896-04-0857inactivemissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissing
242O=P(OC)OCInChI=1S/C2H7O3P/c1-4-6(3)5-2/h6H,1-2H3Dimethyl hydrogen phosphitemissingactivemissingmissingmissinginactiveactivemissingactivemissingmissinginactivemissingmissingactivemissingmissinginactivemissingactivemissingmissingmissingmissingmissingmissingmissingactive
32101-03-0485missingactivemissingmissingmissingmissingactivemissingactivemissingmissingactivemissingmissingmissingactivemissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissing
514C[N+](=O)[O-]InChI=1S/CH3NO2/c1-2(3)4/h1H3Nitromethanemissinginactiveinactivemissingmissinginactiveinactivemissinginactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissinginactiveinactivemissinginactivemissingmissingmissingmissingmissing
535CC(CON=O)CInChI=1S/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3Isobutyl Nitritemissinginactivemissinginactivemissingmissinginactivemissingactivemissingmissingmissingmissingmissinginactiveinactivemissingmissingmissingmissingmissinginactiveactiveactivemissinginactivemissinginactive
547CCCC=NOInChI=1S/C4H9NO/c1-2-3-4-5-6/h4,6H,2-3H2,1H3Butanal Oximemissinginactiveinactivemissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissinginactiveinactiveinactiveinactivemissingmissingmissingactiveactiveinactivemissingmissingactive
645[Si](O[Si](C)(C)C)(C)(C)CInChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3Hexamethyldisiloxanemissinginactivemissingmissingmissinginactivemissingmissingmissinginactivemissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissing
87498-07-0137missingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingactivemissingactivemissingactivemissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissing