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README.md
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size_categories:
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- 1K<n<10K
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dataset_info:
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---
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# Blood-Brain Barrier Database (B3DB)
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size_categories:
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- 1K<n<10K
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dataset_info:
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- config_name: B3DB_classification
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features:
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- name: "NO."
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dtype: int64
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- name: "compound_name"
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dtype: string
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- name: "IUPAC_name"
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dtype: string
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- name: "SMILES"
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dtype: string
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- name: "CID"
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dtype: float64
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- name: "logBB"
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dtype: float64
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- name: "BBB+/BBB-"
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dtype: string
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- name: "Inchi"
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dtype: string
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- name: "threshold"
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dtype: float64
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- name: "reference"
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dtype: string
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- name: "group"
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dtype: string
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- name: "comments"
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dtype: string
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- name: "ClusterNo"
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dtype: int64
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- name: "MolCount"
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dtype: int64
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splits:
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- name: train
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num_bytes: 656000
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num_examples: 5856
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- name: test
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num_bytes: 218640
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num_examples: 1951
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---
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# Blood-Brain Barrier Database (B3DB)
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