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README.md
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---
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license: mit
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tags:
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- chemistry
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- chemical information
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pretty_name: Hematotoxicity Dataset
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dataset_summary: >-
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and a validation set of 610 new molecules.
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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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configs:
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- config_name: HematoxLong2022
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dataset_info:
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---
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# Hematotoxicity Dataset (HematoxLong2022)
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Chem. Res. Toxicol. 2022, 35, 9, 1614–1624
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Publication Date:September 2, 2022
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https://doi.org/10.1021/acs.chemrestox.2c00207
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Copyright © 2024 American Chemical Society
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---
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tags:
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- chemistry
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- chemical information
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pretty_name: Hematotoxicity Dataset
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dataset_summary: >-
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The hematotoxicity dataset which contains a training set of 1330 molecules, a
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test set of 442 molecules, and a validation set of 610 new molecules.
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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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configs:
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- config_name: HematoxLong2022
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dataset_info:
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- name: canonical SMILES
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dtype: string
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- name: Label
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dtype:
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class_label:
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names:
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'0': 0
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'1': 1
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---
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# Hematotoxicity Dataset (HematoxLong2022)
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Chem. Res. Toxicol. 2022, 35, 9, 1614–1624
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Publication Date:September 2, 2022
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https://doi.org/10.1021/acs.chemrestox.2c00207
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Copyright © 2024 American Chemical Society
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