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
197C(Cl)(F)(F)CClInChI=1S/C2H2Cl2F2/c3-1-2(4,5)6/h1H2Dichlor-difluorethanemissinginactivemissinginactivemissingmissinginactivemissingmissingmissingmissingmissingmissingmissinginactiveinactiveinactivemissingmissinginactiveinactivemissingmissingmissingmissingmissingmissingmissing
202FC(CC(F)F)(F)FInChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H21,1,1,3,3-Pentafluoropropanemissingmissingmissingmissinginactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactiveinactivemissingmissingmissinginactive
228C(C(Cl)Cl)(F)(F)FInChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H1,1-Dichloro-2,2,2-trifluoroethanemissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactiveinactiveinactivemissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissing
559C(F)(F)(F)IInChI=1S/CF3I/c2-1(3,4)5Trifluoroiodomethanemissinginactivemissinginactivemissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissinginactivemissinginactiveinactiveinactivemissinginactivemissingmissinginactiveinactiveinactive
695C([C@@H](F)Cl)(F)(F)FInChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H/t1-/m1/s11-Chloro-1,2,2,2-tetrafluoroethanemissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing