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
15Oc1c(C)cccc1InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3o-Cresolmissinginactivemissinginactivemissingmissingactiveinactivemissingmissingmissingmissingmissingmissinginactivemissinginactivemissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissing
16Oc1cc(ccc1)CInChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3Methylphenol,3-missinginactivemissinginactivemissingmissinginactiveinactivemissingmissingmissingmissingmissingmissingmissinginactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
188Oc1c(cccc1C)CInChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H32,6-Dimethylphenolmissinginactivemissingmissingmissingmissinginactivemissinginactivemissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
189Cc1cc(C)cc(O)c1InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H33,5-Dimethylphenolmissingactivemissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
639Cc1cc(C)c(cc1)OInChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H32,4-Dimethylphenolmissingmissingmissingmissingmissinginactiveactivemissingmissingmissingmissingmissingmissingmissingactiveinactiveinactivemissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissing
640Oc1ccc(cc1)CInChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H34-Methylphenolmissinginactiveinactiveinactivemissingmissinginactiveinactiveinactivemissingmissingmissingmissingmissinginactivemissinginactivemissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissing