Set CSV file header.

OpenSourceMalaria · Sep 10, 2019 · 95bfefa · 95bfefa
1 parent 78da11d
commit 95bfefa
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/Submitted Models/auromind.csv b/Submitted Models/auromind.csv
@@ -1,3 +1,4 @@
+SMILES,Potency
 FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCCC4567[BH]89%10[BH]%11%124[BH]8%13%14[BH]%11%15%16[CH]%13%17%18[BH]%149%19[BH]%105%20[BH]%21%226[BH]%17%15([BH]%22%12%167)[BH]%18%19%20%21)N32,>2.5
 FC(F)C1(C2)CC2(COC3=CN=CC4=NN=C(C5=CC=C(OC(F)F)C=C5)N43)C1,>2.5
 FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(CO)C4=C(F)C=CC=C4)N32,0.434