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
6ClCc1ccccc1InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2(alpha)-Chlorotoluenemissingactivemissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
34O(C)c1ccc(C=CC)cc1InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3trans-Anetholemissinginactivemissinginactiveinactiveinactivemissinginactivemissinginactivemissingmissingmissingactivemissingactivemissinginactivemissingmissinginactivemissinginactiveinactivemissingactiveinactivemissing
6790-04-0268missingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
11898-04-1024missingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactiveactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
12793-04-0632missingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactive
14688-04-0142missingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactive
186Oc2ccc1ccccc1c2InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H2-Naphtholmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
27498-07-0146missingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingactivemissinginactiveactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactive
31600-02-0277missingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
34395-06-0725missingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactiveactiveactiveactivemissingmissingmissingmissingmissingmissingactivemissingmissingmissingactive
36396-07-0096missingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissing
416Oc3ccc(c2coc1cc(cc(c1c2=O)O)O)cc3InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18HGenisteininactiveinactivemissingmissingmissinginactivemissinginactivemissingmissingmissingmissingmissingmissinginactivemissinginactivemissingmissingmissingmissinginactiveinactivemissingmissingmissinginactivemissing
426Oc1ccc(C(C)(C)C)cc1OInChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3p-tert-Butylcatecholmissingactivemissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissinginactiveinactivemissinginactivemissingmissingmissingmissingmissing
442c1c(CC=C)ccc(OC)c1OCInChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3Methyleugenolmissingactivemissingmissingmissingmissingmissinginactivemissingactivemissingmissingmissingmissingmissinginactiveactivemissingactivemissingmissinginactiveinactivemissingmissingactivemissingmissing
46302-04-1484missingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactive
541O=C(c1ccccc1)c2ccccc2InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10HBenzophenonemissingactiveinactivemissingmissinginactiveinactivemissinginactivemissingmissingmissingmissingactiveactiveactiveactiveinactiveinactivemissingmissinginactiveinactivemissingmissinginactivemissingmissing
57800-06-1429missingmissingmissingmissinginactivemissinginactivemissingmissingmissingmissingmissingmissingmissingactiveinactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
619c12ccccc1C(c3c(C2=O)cccc3)=OInChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H9,10-Anthraquinonemissingactiveactivemissingactivemissingmissinginactiveactivemissingmissingactivemissingactiveactiveactiveactivemissingmissingmissingmissinginactiveactiveactivemissingmissinginactivemissing
633O=C(c1ccc(C(C)(C)C)cc1)OInChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)p-t-Butylbenzoic acidmissingactivemissingmissingmissingactiveactivemissingmissingmissingmissingmissingmissingactivemissingactivemissingmissingactivemissingmissingmissinginactivemissingmissingmissingmissingmissing
658c12c(cccc1)CCCC2InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H21,2,3,4-Tetrahydronaphthaleneactiveactivemissingmissingmissingmissingactivemissingactivemissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingactiveactivemissingmissingmissingactive
75884-04-0014missingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissing
77891-07-0016missingmissingmissingmissingmissingmissingmissingmissingmissinginactiveinactivemissingmissingactivemissingactiveinactivemissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissing
79193-04-0553missingmissingmissinginactivemissingactivemissingmissingactivemissingmissinginactivemissingactiveactiveinactiveactiveinactivemissingmissingmissingmissingactiveactivemissingmissingmissingmissing