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
32C1CCCCNC1=OInChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)Caprolactammissinginactivemissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissinginactiveinactivemissingactivemissingmissingmissingmissinginactivemissingmissingmissingmissinginactivemissing
6690-04-0264missinginactivemissinginactivemissinginactiveactivemissingmissingmissingmissingmissinginactiveactivemissinginactivemissingmissinginactivemissingmissingmissinginactiveinactiveinactivemissingmissinginactive
15195-04-0786missingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingactivemissingactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
15292-04-0489activeactivemissingmissingmissingactiveactivemissingmissingmissingmissingmissingmissingmissingactiveactiveactivemissingmissingmissingmissingactivemissingmissingactiveactivemissingmissing
29598-01-0543missingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
41796-07-0087missingmissingmissingmissingmissingmissingmissinginactivemissingmissingactivemissingmissingmissingmissingmissingmissingmissinginactiveinactivemissingmissingmissingmissingmissingmissingmissinginactive
527O=C1CCCCCCCCCCCN1InChI=1S/C12H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h1-11H2,(H,13,14)Dodecane-12-lactammissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
620N1(C=C)CCCC1=OInChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2N-Vinyl-2-pyrrolidinonemissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissing
682C1(=O)CCCN1CInChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3N-Methyl-2-pyrrolidonemissinginactivemissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissinginactivemissinginactivemissingmissinginactiveinactivemissinginactivemissingmissingmissingmissinginactive
82095-04-0727missingmissingmissingmissingmissingactiveactivemissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactive