Fingerprint, Graph Neural Network and chemical properties for ADMET prediction
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资源简介：
Data.zip – Raw data containing ADMET values; files ending with _B are for binary classification, and _R are for regression prediction. Notebook.zip – Colab/Jupyter Notebook files for data analysis and model training. Results.zip – Results extracted from the Notebooks, ready for plotting and visualization.
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Zenodo创建时间：
2026-03-11
