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
444CN(C)C=OInChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3N,N-Dimethylformamidemissinginactivemissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissinginactiveinactiveactivemissingmissingmissingmissinginactiveinactivemissingmissinginactivemissingmissing
548NC=OInChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)Formamidemissingactivemissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissinginactiveinactivemissingmissinginactivemissinginactivemissinginactivemissingmissinginactivemissinginactive
598C(O)=OInChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)Formic acidmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissing
699OC(=O)CC(C)CC(C)(C)CInChI=1S/C9H18O2/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3,(H,10,11)(3,5,5)-Trimethylhexanoic acidmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingactiveactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing