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
8O=C(C=C)OInChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)Acrylic acidmissinginactivemissinginactiveinactiveinactivemissingmissingmissingmissingmissingmissingmissinginactiveinactivemissinginactivemissingmissingmissingmissinginactivemissinginactivemissingmissingmissingmissing
30OC(C(C)=C)=OInChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)Methacrylic acidmissinginactivemissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissinginactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
232O1C(C=CC1=O)=OInChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2HMaleic anhydridemissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactiveinactivemissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
46702-04-1488missingmissingmissingmissingmissinginactiveinactivemissingmissingmissingmissingmissingmissingmissingmissinginactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
618COC(C(=C)C)=OInChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3Methyl methacrylatemissinginactiveinactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissing
629COC(C=C)=OInChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3Methyl acrylatemissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing