Datasets:

SaeedLab
/

BBB

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train.csv → train_classification.csv RENAMED Viewed

File without changes

train_regression.csv ADDED Viewed

	@@ -0,0 +1,851 @@

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validation.csv → val_classification.csv RENAMED Viewed

File without changes

val_regression.csv ADDED Viewed

	@@ -0,0 +1,104 @@

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+O=c1cccc2n1C[C@H]1CNC(Br)[C@@H]2C1,-0.05
+OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1,1.32
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,1.5
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,0.7
+Oc1ccc2c(c1)OCO2,-0.04
+S=C(NC1CCCCC1)N1CCC(c2cnc[nH]2)CC1,-0.2
+c1ccc(NCCCOc2cccc(CN3CCCCC3)c2)nc1,0.69
+c1cnc(N2CCNCC2)nc1,0.6