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authorChristoph Helma <helma@in-silico.ch>2019-08-24 15:06:53 +0200
committerChristoph Helma <helma@in-silico.ch>2019-08-24 15:06:53 +0200
commit8e1e8b94539dbdd74bd4ac28295cbfd1b84036ab (patch)
tree28528e19dc6ed4cca7ed824e939dedd6c4acc94c /test/data/batch_prediction.csv
parent1ee7de09c969e16fd11522d22179224e694b0161 (diff)
parent488ce9fe6d4b715680675861105b8c52a7535140 (diff)
Merge remote-tracking branch 'origin/development'
Diffstat (limited to 'test/data/batch_prediction.csv')
-rw-r--r--test/data/batch_prediction.csv25
1 files changed, 0 insertions, 25 deletions
diff --git a/test/data/batch_prediction.csv b/test/data/batch_prediction.csv
deleted file mode 100644
index c9c45e1..0000000
--- a/test/data/batch_prediction.csv
+++ /dev/null
@@ -1,25 +0,0 @@
-SMILES, batch
-CCCCCCCCOC(=O)C1=CC=C(C(=O)OCCCCCCCC)C=C1
-OCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCOC(=O)C2=CC=CC=C2C(=O)OCCCCO
-C1([N+](=O)[O-])=CC=C(C)C=C1OP(=O)(OC2=C([N+](=O)[O-])C=CC(C)=C2)OC3=C([N+]([O-])=O)C=CC(C)=C3
-C1=C([N+]([O-])=O)C=CC=C1P(=O)(C2=CC([N+](=O)[O-])=CC=C2)C3=CC([N+](=O)[O-])=CC=C3
-O=C1NC(=O)NC=C1
-O=C2C1=NC3=C(C=C(C)C(C)=C3)N(C[C@H](O)[C@H](O)[C@H](O)CO)C1=NC(N2)=O
-O=C1C2=C(C=CC=C2)C(=O)C3=C1C=CC=C3
-CCC1=C(Br)C(Br)=C(Br)C(Br)=C1Br
-C1CCCCC1C2CCCCC2
-C1=CC(C)=CC=C1SSC2=CC=C(C)C=C2
-CCCCCCCCCCCCCO
-O=C(C1=C(C=CC=C1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC
-CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC
-CCCCCCCCCCCCCC=O
-OCCCCCCCC\C=C/CCCCCCCC
-CCCCCCC(=O)CCCCCC
-N1=C(C2=CC=CC=C2)NC(C3=CC=CC=C3)=C1C4=CC=CC=C4
-C1=CC=CC=C1[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
-C1=CC=CC=C1N(C2=CC=CC=C2)C3=CC=CC=C3
-IC1=CC=C(I)C=C1
-C1=CC(N(C)C)=CC=C1P(=O)(C2=CC=C(N(C)C)C=C2)C3=CC=C(N(C)C)C=C3
-C1=CC=CC=C1C2=CC=C(C3=CC=CC=C3)O2
-CCCCCCCCCCCC(=O)N
-N1=C(CCN)C=CC=C1