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Table 2 ChEMBL data breakdown

From: Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuition

 

Size

Training

Validation

Test

ChEMBL 29

1.895.373

1.291.223

197.497

407.014

ChEMBL 29 (no Ames)

1.892.281

1.289.081

197.119

406.081

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Journal of Cheminformatics

ISSN: 1758-2946

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