1 files changed, 0 insertions, 43 deletions
diff --git a/regression/RAT_lazar_predictions.csv b/regression/RAT_lazar_predictions.csv
deleted file mode 100644
index a796ad6..0000000
--- a/regression/RAT_lazar_predictions.csv
+++ /dev/null
@@ -1,43 +0,0 @@
-SMILES,actual (pTD50),predicted (pTD50)
-O=CC(N=C(O)N(C)N=O)C(O)C(O)C(O)CO,5.44,5.399
-c1ccc2ccccc2c1,3.763,3.085
-CC=C1CC(=C)C(O)(CO)C(=O)OCC2=CCN3CCC(OC1=O)C23,6.468,5.367
-CC(=Nc1nnc(s1)c1ccc(o1)N(=O)=O)O,4.459,4.74
-OC=NNc1scc(n1)c1ccc(o1)N(=O)=O,4.701,4.633
-O=NN(c1ccccc1)c1ccccc1,3.074,4.298
-OCCN(N=O)CC=C,5.423,5.24
-O=NN(C)C(=N)NN(=O)=O,5.263,4.567
-ClCC(Cl)CCl,5.038,4.919
-CCCCCCN(N=O)C(=N)O,5.528,5.577
-Cc1ccc2cc3c4ccccc4ccc3c3CCc1c23,5.738,4.409
-Cc1cc(ccc1N)c1ccc(N)c(C)c1,5.528,3.683
-CCOC(=O)N(CC)N=O,6.209,5.037
-CC(=Nc1scc(n1)c1ccc(o1)N(=O)=O)O,4.153,4.963
-ClC(Cl)(Cl)C(Cl)(Cl)Cl,3.631,3.816
-ClC(=C(Cl)C(=C(Cl)Cl)C)Cl,3.563,4.584
-C1CCCO1,2.248,3.181
-ClC(Cl)C(F)(F)F,1.81,3.218
-ClC12C3(Cl)C(Cl)(Cl)C4(Cl)C2(Cl)C2(Cl)C4(Cl)C3(Cl)C1(Cl)C2(Cl)Cl,5.489,5.041
-CN(C)c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C,4.677,4.624
-OC(=N)C(=Cc1ccc(o1)N(=O)=O)c1ccco1,3.926,4.844
-FCCl,3.396,3.038
-COc1ccc(cc1)CN(CCN(C)C)c1ccccn1,3.008,3.538
-O=NN(C)c1ccc(cc1)C=Cc1ccnc2ccccc12,5.617,4.583
-COC12C3NC3CN2C2=C(C(=O)C(=C(C)C2=O)N)C1COC(=N)O,8.516,5.194
-Clc1ccc(c(Cl)c1)c1ccc(Cl)cc1Cl,4.393,4.672
-ClCC1CO1,4.495,3.554
-COc1ccccc1N(=O)=O,3.992,4.232
-O=N(=O)c1cc(ccc1Nc1ccc(Nc2ccccc2)c(c1)S(=O)(=O)O)N(=O)=O,2.401,3.732
-O=NN(C)c1ccc(F)cc1,5.781,3.962
-O=NN1CCCN(N=O)CC1,6.41,5.013
-CCN=c1[nH]c(nc(Cl)n1)NC(C)(C)C#N,4.58,4.361
-CC1C(C)OC=C2C1=C(C)C(=O)C(=C(O)O)C2=O,4.524,4.214
-O=N(=O)c1ccc(s1)c1nc2ccccc2c(n1)N1CCOCC1,4.833,4.275
-ONc1ccc(N=O)cc1,3.115,3.291
-OC1=NN=C(CC1)c1ccc2N=C(O)C(C)(C)c2c1,5.107,4.288
-CC1OC(=O)c2c(O)c(cc(Cl)c2C1)C(=NC(Cc1ccccc1)C(=O)O)O,6.473,4.621
-Cc1ncc(N(=O)=O)n1C,3.919,3.987
-Clc1ccc(cc1)C(c1ccc(Cl)cc1)C(Cl)(Cl)Cl,3.622,4.602
-C=CCc1ccc2OCOc2c1,2.566,3.434
-Cc1cnc2ccc3c([nH]c(=N)n3C)c2n1,5.109,3.849
-OCc1[nH]n(C)c(=NCCCOc2cccc(CN3CCCCC3)c2)n1,2.875,3.241