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
307C1CCCCC1InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2Cyclohexanemissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
37897-06-1009missingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactiveactivemissinginactivemissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissing
419C1C(C=C)CC=CC1InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H24-Vinyl-1-cyclohexenemissinginactivemissingmissingmissingmissinginactiveinactivemissingmissingmissingmissingmissinginactiveinactivemissinginactivemissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissing
554C1(\[C@@H]2C[C@@H](C1)C=C2)=C\CInChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3/b8-2-/t7-,9+/m1/s15 Ethylidene- 2- norbornenemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissinginactivemissingmissingmissingmissingmissingactivemissingmissingmissingactiveinactive