Updated README.md
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README.md
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---
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version: 1.
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language: en
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license: cc0-1.0
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source_datasets: curated
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while the whole dataset has categorical (`BBB+` or `BBB-`) BBB permeability labels
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(7807 compounds). Some physicochemical properties of the molecules are also provided.
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[Updates 2025.08.
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Removed or replaced the invalid SMILES with valid SMILES.
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- Removed 'C[N+]1(C)CCC[C@H](OC(=O)[C+](O)(c2ccccc2)c2ccccc2)C1'
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- Replaced 'C[N+]1(C)CCCC(OC(=O)[C+](O)(c2ccccc2)c2ccccc2)C1' with 'C/N=C(\NC#N)NCCSCc1csc(N=C(N)N)n1'
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---
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version: 1.2.0
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language: en
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license: cc0-1.0
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source_datasets: curated
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while the whole dataset has categorical (`BBB+` or `BBB-`) BBB permeability labels
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(7807 compounds). Some physicochemical properties of the molecules are also provided.
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+
[Updates 2025.08.16 -- version 1.2.0]
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| 6673 |
Removed or replaced the invalid SMILES with valid SMILES.
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| 6674 |
- Removed 'C[N+]1(C)CCC[C@H](OC(=O)[C+](O)(c2ccccc2)c2ccccc2)C1'
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| 6675 |
- Replaced 'C[N+]1(C)CCCC(OC(=O)[C+](O)(c2ccccc2)c2ccccc2)C1' with 'C/N=C(\NC#N)NCCSCc1csc(N=C(N)N)n1'
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