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
52C1(=C(Cl)C(=C(C1(Cl)Cl)Cl)Cl)ClInChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8Hexachlorocyclopentadienemissingactivemissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingactiveactivemissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
506C1(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C1ClInChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6HLindanemissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactiveactiveactiveactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
656OC(c1ccc(cc1)Cl)(c2ccc(cc2)Cl)C(Cl)(Cl)ClInChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H2,2,2-trichloro-1,1-di(4-chlorophenyl) ethanolmissingactivemissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingactiveactivemissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissing
670ClC1OC(C2C1C3(C(Cl)=C(C2(C3(Cl)Cl)Cl)Cl)Cl)ClInChI=1S/C9H4Cl8O/c10-3-4(11)8(15)2-1(5(12)18-6(2)13)7(3,14)9(8,16)17/h1-2,5-6HIsobenzanmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
702C(Cl)(Cl)(Cl)c1ccc(cc1)ClInChI=1S/C7H4Cl4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4Hp-Chlorobenzotrichloridemissingactiveactivemissingmissingactiveactiveactivemissingmissingmissingmissingmissingmissingmissingactiveactivemissingactiveactivemissingmissingactiveactivemissingactivemissingactive