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README.md
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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 train and test datasets were created after
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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_info:
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- config_name: HematoxLong2023
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features:
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splits:
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---
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# Hematotoxicity Dataset (HematoxLong2023)
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---
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license: mit
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language: en
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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 consists of a training set with 1788 molecules and
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a test set with 594 molecules. The train and test datasets were created after
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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_info:
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- config_name: HematoxLong2023
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features:
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- name: "new 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: "negative"
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1: "positive"
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splits:
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- name: train
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num_bytes: 28736
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num_examples: 1788
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- name: test
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num_bytes: 9632
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num_examples: 594
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task_categories:
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- tabular-classification
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---
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# Hematotoxicity Dataset (HematoxLong2023)
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