ASAP Discovery x OpenADMET CompetitionTake part in the first prospective benchmark on Polaris.

Result

ssyrnyk/ML4DD-team19-evenmorepruned-hyperparamtered-anothermodelprobablyoverfitted

docking boosting fingerprinting pruned and hyperparametered probably overfitted

Submitted on: June 21, 2024,ID: BEHNXMV3LjbtbY61HEZ7F

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Detailed Results

Test setTarget labelMetricScore
testCLASS_KITf10.48979591836734687
testCLASS_KITmcc0.3626658695479678
testCLASS_KITpr_auc0.6992393052636785
testCLASS_KITroc_auc0.8221099887766554
testCLASS_KITaccuracy0.7126436781609196
testCLASS_KITcohen_kappa0.3217960710944807
testCLASS_KIT_(T6701_mutant)f10.5333333333333333
testCLASS_KIT_(T6701_mutant)mcc0.43805373239155293
testCLASS_KIT_(T6701_mutant)pr_auc0.6746680251832476
testCLASS_KIT_(T6701_mutant)roc_auc0.812133072407045
testCLASS_KIT_(T6701_mutant)accuracy0.8390804597701149
testCLASS_KIT_(T6701_mutant)cohen_kappa0.4366327474560592
testCLASS_KIT_(V560G_mutant)f10.5925925925925926
testCLASS_KIT_(V560G_mutant)mcc0.5233793327271588
testCLASS_KIT_(V560G_mutant)pr_auc0.600751140409326
testCLASS_KIT_(V560G_mutant)roc_auc0.851111111111111
testCLASS_KIT_(V560G_mutant)accuracy0.8735632183908046
testCLASS_KIT_(V560G_mutant)cohen_kappa0.5188536953242835