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Molecule Property Prediction (Overall Counts)

21Top-1 CountN-Gram XGB
-0.844.8310.516.17Jun 24, 2018

Evaluation results

MethodLinks
N-Gram XGBN-gram parameter T=6, Embedding dimension r=1002018.062148
GCNN2018.061223
Morgan RF2018.06925
Morgan XGB2018.06513
N-Gram RFN-gram parameter T=6, Embedding dimension r=1002018.06531
WL SVM2018.06415
Weave2018.06418
GIN2018.0607