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
23ClC(c1ccccc1)(Cl)ClInChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H(alpha),(alpha),(alpha)-Trichlorotoluenemissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
190ClC(c1ccccc1)ClInChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7HBenzal chloridemissingactivemissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
208ClCc1c(cccc1)ClInChI=1S/C7H6Cl2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H21-Chloro-2-(chloromethyl)-benzenemissingactivemissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissing
226Clc1c(cc(cc1)Cl)ClInChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H1,2,4-Trichlorobenzenemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactiveactiveactivemissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissing
544Oc2c(Cc1ccccc1)cc(Cl)cc2InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2o-Benzyl-p-Chlorophenolmissingmissingmissinginactiveactivemissingmissingmissingmissingmissingmissingmissingmissinginactiveinactivemissingmissingmissingmissingmissinginactivemissingactivemissinginactiveinactivemissinginactive
632C(F)(F)(F)c1ccc(cc1)ClInChI=1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4Hp-Chlorobenzotrifluorideinactiveinactivemissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingactiveactiveactiveactivemissingmissingmissingmissingmissinginactivemissingmissingmissingmissingactive
88799-05-0357missinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactiveactiveactiveactivemissingmissingmissingmissingmissinginactivemissingmissingmissinginactivemissing