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scikit-fingerprints/ExpansionRx_OpenADMET_MLM_CLint

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Hugging Face2026-04-03 更新2026-04-12 收录
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https://hf-mirror.com/datasets/scikit-fingerprints/ExpansionRx_OpenADMET_MLM_CLint
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资源简介:
--- license: cc-by-4.0 task_categories: - tabular-regression - graph-ml - text-classification tags: - chemistry - biology - medical pretty_name: ExpansionRx-OpenADMET MLM CLint size_categories: - 1K<n<10K configs: - config_name: default data_files: - split: train path: "mlm_clint.csv" --- # ExpansionRx-OpenADMET MLM CLint MLM CLint dataset from the ExpansionRx-OpenADMET Blind Challenge [[1]](#1) [[2]](#2). It is intended to be used through [scikit-fingerprints](https://github.com/scikit-fingerprints/scikit-fingerprints) library. The task is to predict MLM CLint of molecules. | **Characteristic** | **Description** | |:------------------:|:-----------------:| | Tasks | 1 | | Task type | regression | | Total samples | 5692 | | Recommended split | time | | Recommended metric | MAE | ## References <a id="1">[1]</a> OpenADMET team "Announcement 1: ExpansionRx-OpenADMET Blind Challenge" https://openadmet.ghost.io/expansionrx-openadmet-blind-challenge/ <a id="2">[2]</a> HuggingFace Hub - ExpansionRx-OpenADMET challenge full dataset https://huggingface.co/datasets/openadmet/openadmet-expansionrx-challenge-data
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