Datasets:
haneulpark
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README.md
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The approach is based on the chemical similarity to known aggregators, and physical properties.
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The train and test datasets uploaded to our Hugging Face repository have been sanitized and split from the original dataset, which contains 12645 compounds.
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If you want to try these processes with the original dataset, please follow the instructions in the
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citation: >-
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@article
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{Irwin2015, title = {An Aggregation Advisor for Ligand Discovery},
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The approach is based on the chemical similarity to known aggregators, and physical properties.
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The train and test datasets uploaded to our Hugging Face repository have been sanitized and split from the original dataset, which contains 12645 compounds.
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+
If you want to try these processes with the original dataset, please follow the instructions in the
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[Processing Script.py](https://huggingface.co/datasets/maomlab/AggregatorAdvisor/blob/main/Preprocessing%20Script.py) file located in the AggregatorAdvisor.
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[Processing Script.py](https://huggingface.co/datasets/maomlab/HematoxLong2023/blob/main/Processing%20Script.py)
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citation: >-
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@article
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{Irwin2015, title = {An Aggregation Advisor for Ligand Discovery},
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