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scikit-fingerprints/TDC_carcinogens_lagunin

TDC Carcinogens Lagunin Carcinogens Lagunin dataset dataset [1] [2], part of TDC [3] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict whether the drug is a carcinogen. Characteristic Description Tasks 1 Task type classification Total samples 280 Recommended split scaffold Recommended metric AUROC References [1] Lagunin, Alexey, et al. Computer-Aided Prediction of Rodent Carcinogenicity by… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/TDC_carcinogens_lagunin.

Author / organizationscikit-fingerprints
License (as declared)unknown
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Created16 February 2025
Last updated at source14 June 2025
chemistrybiologymedical
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  • 17 Oct 2026 Description: TDC Carcinogens Lagunin Carcinogens Lagunin dataset dataset [1] [2], part of TDC [3] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict whether the drug is a carcinogen. Characteristic Descripti → TDC Carcinogens Lagunin Carcinogens Lagunin dataset dataset [1] [2], part of TDC [3] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict whether the drug is a carcinogen. Characteristic Descripti

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