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
5399-04-1185missingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
9097-04-0958missingmissingmissingmissingmissingmissinginactivemissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
9499-04-1123missingmissingmissingmissinginactivemissingactivemissingmissingmissingmissingmissingmissingmissingmissinginactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactive
10797-04-0999missingmissingmissingmissingmissinginactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
11793-04-0598missinginactivemissingmissingmissinginactiveinactivemissingmissingmissingmissingmissingmissinginactivemissinginactivemissingmissingmissingmissingmissingmissinginactiveinactivemissingmissingmissingmissing
13497-04-0981missingmissingmissingmissingmissingmissingmissingmissingactivemissingmissinginactivemissingmissinginactivemissingactivemissinginactivemissingmissingmissingactiveactivemissingmissingactivemissing
234n2c(NC1CC1)nc(N)nc2NInChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)N-cyclopropyl-1,3,5-triazine-2,4,6-triaminemissingactivemissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissing
250Nc1nc(N)nc(N)n1InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)Melaminemissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
26898-05-0303missingmissingmissingmissingmissingmissinginactivemissingmissingmissinginactivemissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
27999-03-0453missingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
381c12c(nc([nH]1)S)cccc2InChI=1S/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)2-Mercaptobenzimidazolemissingactiveactivemissingactiveactiveactiveactiveactivemissingactivemissingmissingactivemissingactiveactivemissingmissingmissingmissingmissingmissingmissingactiveactiveactivemissing
38793-04-0530activemissingmissingmissingactivemissingactiveactivemissingmissingmissingmissingactivemissingmissingactivemissingmissingmissingmissingmissingmissingactivemissingmissingactivemissingactive
39495-01-0352activemissingmissingmissingactiveactivemissingactiveactiveactiveactivemissingmissingactivemissingactiveactivemissingmissingmissingmissingmissingactiveactivemissingmissingactiveactive
626c1(nc(nc(N)n1)N)c2ccccc2InChI=1S/C9H9N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14)2,4-Diamino-6-phenyl-1,3,5-triazineinactiveactivemissingmissingmissingmissinginactivemissingmissingmissingmissinginactivemissinginactivemissinginactiveinactivemissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissing
71600-02-0263missingmissingmissingactivemissingactivemissingmissingmissingmissingmissingmissingactivemissingmissingactivemissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingactive
78392-04-0470missingactivemissingmissingmissingmissingactivemissingmissingactivemissingactivemissingmissingmissingactiveactivemissingmissingmissingmissingactiveactiveactivemissingmissingmissingactive
86398-04-1012missingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactiveactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
86898-04-1111missingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
87899-01-0560missingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingactivemissingmissingactiveactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
89399-06-1280missingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing