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
5794-04-0664missingmissingmissingmissingmissinginactiveactivemissingmissingmissingmissingmissingmissinginactiveinactivemissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
245O(CC1CO1)CC=CInChI=1S/C6H10O2/c1-2-3-7-4-6-5-8-6/h2,6H,1,3-5H2Allyl glycidyl ethermissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
668CCOC(C=C)=OInChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3Ethyl acrylatemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
676O(C(C)=O)CC=CInChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3Allyl Acetatemissingactiveinactivemissingmissingactiveinactivemissingmissingactivemissinginactiveinactivemissingactiveactiveactivemissingmissingmissingmissingmissingactiveinactiveinactivemissingmissingactive
694CC(CC(OCC=C)=O)CInChI=1S/C8H14O2/c1-4-5-10-8(9)6-7(2)3/h4,7H,1,5-6H2,2-3H3Allyl isovaleratemissingactivemissingmissingmissingmissinginactivemissingmissingmissingmissingmissinginactivemissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
84296-06-0881inactivemissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissinginactiveinactivemissinginactivemissingmissingmissingmissinginactivemissinginactivemissinginactivemissingmissing
86798-04-1105activemissingmissingmissingmissingmissingactivemissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactive