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
9891-04-0418missingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
12893-04-0561missingmissingmissingmissingmissingmissinginactivemissinginactivemissinginactivemissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingactive
16894-02-0153missingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
240c1(C(=O)OCC=C)ccccc1C(=O)OCC=CInChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2Diallyl phtalatemissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactiveinactivemissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
263c1(c(ccc(c1)C(O)=O)C(O)=O)C(O)=OInChI=1S/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)Trimellitic acidmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
264c12c(C(=O)OC2=O)ccc(c1)C(O)=OInChI=1S/C9H4O5/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h1-3H,(H,10,11)Trimellitic anhydridemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactive
45700-04-1231missinginactivemissingmissingactiveinactiveinactivemissinginactivemissinginactivemissingmissingmissinginactivemissinginactivemissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissing
47399-08-0084missingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
546O=C2CCc1ccccc1O2InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H23,4-Dihydrocoumarinmissinginactivemissinginactiveinactiveinactivemissingmissingmissinginactiveinactivemissingmissingmissinginactiveinactiveinactivemissingmissingmissinginactivemissinginactivemissingmissingmissingmissinginactive
659O=Cc1cc(OCC)c(O)cc1InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3Ethyl vanillinmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
660c1(C(=O)O)cccc(C(=O)O)c1InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)Isophthalic acidmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
667CC(OCc1ccccc1)=OInChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3Benzyl acetatemissinginactivemissinginactivemissingmissinginactivemissingmissingmissingmissingmissingmissinginactivemissinginactivemissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissing
706O=CC=Cc1ccccc1InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8Htrans-Cinnamaldehydemissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissinginactiveinactivemissingmissingmissingmissinginactive
86498-04-1054missingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactive