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Table 1 XGBoost parameters and best parameter combinations (CTRP-L1000 Series Model)

From: Drug-induced cell viability prediction from LINCS-L1000 through WRFEN-XGBoost algorithm

Parameter Name

L1000-CTRP-3h (S1/S2)

L1000-CTRP-6h (S1/S2)

L1000-CTRP-24h (S1/S2)

Learning rate

0.0225/0.0476

0.01/0.0225

0.01/0.035

Gamma

0/0.0317

0.1587/0

0/0

Max depth

6/3

5/5

6/5

Min child weight

4/5

3/13

8/10

Subsample

0.5757/0.7957

0.4343/0.5129

0.2457/0.6700

Colsample_bytree

0.1111/0.0794

0.4286/0.1270

0.4762/0.8095

Lambda

0.01/1.1156

1.2103/0.3259

1.4946/0.7997

Iteration times

4174/1476

5841/3460

4968/4492