Datasets:
piotr
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README.md
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# TDC Herg Karim
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Herg Karim dataset [[1]]
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[scikit-fingerprints](https://github.com/scikit-fingerprints/scikit-fingerprints) library.
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The task is to predict whether the drug blocks ether-à-go-go related gene (hERG),
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This dataset is a binary classification task, with molecules defined as hERG (<10 µM)
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and non-hERG (>=10 µM) blockers.
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| **Characteristic** | **Description** |
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| Tasks | 1 |
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Journal of Cheminformatics 13, 60 (2021)
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https://doi.org/10.1186/s13321-021-00541-z
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<a id="2">[2]</a>
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Huang, Kexin, et al.
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"Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development"
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# TDC Herg Karim
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Herg Karim dataset [[1]](#1), part of TDC [[2]](#2) benchmark. It is intended to be used through
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[scikit-fingerprints](https://github.com/scikit-fingerprints/scikit-fingerprints) library.
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The task is to predict whether the drug blocks ether-à-go-go related gene (hERG),
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This dataset is a binary classification task, with molecules defined as hERG (<10 µM)
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and non-hERG (>=10 µM) blockers.
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| **Characteristic** | **Description** |
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|:------------------:|:------------------------:|
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| Tasks | 1 |
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Journal of Cheminformatics 13, 60 (2021)
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https://doi.org/10.1186/s13321-021-00541-z
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<a id="2">[2]</a>
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Huang, Kexin, et al.
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"Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development"
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