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
207N#CCCCCC#NInChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H21,4-Dicyanobutanemissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
262[NH-]=[N+]=[NH-].[Na+]InChI=1S/H2N3.Na/c1-3-2;/h1-2H;/q-1;+1Sodium Azidemissingactivemissingactivemissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
404CC(=C)C#NInChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3Methacrylonitrilemissingactivemissingmissingmissingactiveactiveactivemissingmissingmissingmissingmissinginactiveinactivemissingactivemissingmissingmissingmissinginactiveinactivemissingmissinginactivemissinginactive
420CC#NInChI=1S/C2H3N/c1-2-3/h1H3Acetonitrilemissinginactiveinactiveinactivemissingmissinginactiveinactiveinactivemissingmissingmissingmissingmissinginactivemissinginactivemissingmissingmissingmissingmissingmissinginactiveinactiveinactiveinactivemissing