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README.md
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@@ -25,6 +25,8 @@ Feature engineering: https://github.com/articlesmli/G9a_clsf/blob/main/with%20so
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Rows: 3,890
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Columns: 22
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- Column 1: Efficacy of the G9a inhibition (target)
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- Column 2: MW - Molecular weight is calculated as the sum of the mass of each constituent atom multiplied by the number of atoms of that element in the molecular formula.
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- Column 3: TPSA -The topological polar surface area is an estimate of the polar surface area of a molecule, computed as the surface sum over polar atoms in the molecule
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Rows: 3,890
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Columns: 22
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A note: Remove the column "Unnamed: 0".
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- Column 1: Efficacy of the G9a inhibition (target)
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- Column 2: MW - Molecular weight is calculated as the sum of the mass of each constituent atom multiplied by the number of atoms of that element in the molecular formula.
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- Column 3: TPSA -The topological polar surface area is an estimate of the polar surface area of a molecule, computed as the surface sum over polar atoms in the molecule
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