diff options
Diffstat (limited to 'models/mutagenicity-mp2d/crossvalidation/7/test/predictions')
| -rw-r--r-- | models/mutagenicity-mp2d/crossvalidation/7/test/predictions | 831 |
1 files changed, 831 insertions, 0 deletions
diff --git a/models/mutagenicity-mp2d/crossvalidation/7/test/predictions b/models/mutagenicity-mp2d/crossvalidation/7/test/predictions new file mode 100644 index 0000000..1ae02c7 --- /dev/null +++ b/models/mutagenicity-mp2d/crossvalidation/7/test/predictions @@ -0,0 +1,831 @@ +c1ccc(nc1)c1cccnc1,,1,0.25274479467630995,0.3836188416873264,0.6363636363636364,5 +Oc1ncnc(n1)O,,0,0.3,0.0,0.3,2 +CC[C@H]1C[N@]2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC.Cl.Cl,,0,0.7458349564899319,0.2041650435100681,0.95,9 +O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl,,0,0.7368421052631579,0.0,0.7368421052631579,6 +C1CCO1,,0,0.30237080940914984,0.19762919059085016,0.5,15 +Cc1cc(C)c(cc1C)C,,0,0.6,0.0,0.6,2 +O=C1O[C@H]2CC[N@]3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,,0,0.2533624977013324,0.2305084700406031,0.4838709677419355,12 +ClCC(CCl)O,,1,0.10281280310378273,0.39718719689621723,0.5,7 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