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Table 4 Predictive power on the test set of multi-task and single-task models trained on the COX-1 and COX-2 data sets

From: KekuleScope: prediction of cancer cell line sensitivity and compound potency using convolutional neural networks trained on compound images

Model

RMSE ± SD on COX-1

RMSE ± SD on COX-2

Multi-target COX-1 and COX-2

0.73 ± 0.05

0.75 ± 0.05

Single-target COX-1

0.73 ± 0.06

NA

Single-target COX-2

NA

0.72 ± 0.05

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Journal of Cheminformatics

ISSN: 1758-2946

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