From d62e11dd1e48a4aeb03a7daf497a29f84b25a360 Mon Sep 17 00:00:00 2001 From: gebele Date: Fri, 4 Aug 2017 14:16:27 +0000 Subject: finaly fixed the daphnia dataset mol to mmol -log10 conversion --- regression/daphnia_magna.csv | 2 +- regression/daphnia_magna_mmol_log10.csv | 1092 +++++++++++++++---------------- 2 files changed, 547 insertions(+), 547 deletions(-) diff --git a/regression/daphnia_magna.csv b/regression/daphnia_magna.csv index af328b4..3a444d6 100644 --- a/regression/daphnia_magna.csv +++ b/regression/daphnia_magna.csv @@ -1,4 +1,4 @@ -SMILES,-log[LC50_mol/L] +SMILES,LC50_mol/L BrC(Br)Br,0.00018197008586099826 BrC=C(Br)Br,4.677351412871981e-05 Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,9.571940712948441e-08 diff --git a/regression/daphnia_magna_mmol_log10.csv b/regression/daphnia_magna_mmol_log10.csv index 642d450..8613927 100644 --- a/regression/daphnia_magna_mmol_log10.csv +++ b/regression/daphnia_magna_mmol_log10.csv @@ -1,547 +1,547 @@ SMILES,-log[LC50_mmol/L] 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