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README.md
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dataset_summary: >-
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The hematotoxicity dataset consists of a training set with 1788 molecules and a test set with 594 molecules.
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The train and test datasets were created after sanitizing and splitting the original dataset in the paper below.
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citation:
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@article{,
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author = {Teng-Zhi Long, Shao-Hua Shi, Shao Liu, Ai-Ping Lu, Zhao-Qian Liu, Min Li, Ting-Jun Hou*, and Dong-Sheng Cao},
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doi = {10.1021/acs.jcim.2c01088},
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dataset_summary: >-
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The hematotoxicity dataset consists of a training set with 1788 molecules and a test set with 594 molecules.
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The train and test datasets were created after sanitizing and splitting the original dataset in the paper below.
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citation: >-
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@article{,
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author = {Teng-Zhi Long, Shao-Hua Shi, Shao Liu, Ai-Ping Lu, Zhao-Qian Liu, Min Li, Ting-Jun Hou*, and Dong-Sheng Cao},
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doi = {10.1021/acs.jcim.2c01088},
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