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pyaptamer/pseaac/_features.py

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@@ -13,6 +13,31 @@ class PSeAAC:
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selected physicochemical properties and sequence-order correlations as described in
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the PseAAC model by Chou.
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The PSeAAC algorith uses 21 normalized physiochemical (NP) properties of amino
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acids, which we load from a predefined matrix using `aa_props`, the properties in
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order are:
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- Hydrophobicity
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- Hydrophilicity
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- Side-chain Mass
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- Polarity
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- Molecular Weight
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- Melting Point
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- Transfer Free Energy
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- Buriability
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- Bulkiness
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- Solvation Free Energy
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- Relative Mutability
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- Residue Volume
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- Volume
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- Amino Acid Distribution
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- Hydration Number
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- Isoelectric Point
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- Compressibility
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- Chromatographic Index
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- Unfolding Entropy Change
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- Unfolding Enthalpy Change
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- Unfolding Gibbs Free Energy Change
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Each feature vector consists of:
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- 20 normalized amino acid composition features (frequency of each standard
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amino acid)
@@ -152,8 +177,8 @@ def transform(self, protein_sequence):
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Returns
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-------
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np.ndarray
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A 1D NumPy array of length 50 * len(prop_groups), where len(prop_groups)
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is the number of property groups used for feature extraction (7).
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A 1D NumPy array of length 50 * number of property groups used for
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feature extraction (7).
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Each 50-element block consists of:
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- 20 normalized amino acid composition features
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- 30 normalized sequence-order correlation factors (theta values)

pyaptamer/utils/__init__.py

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"""Utils for the pyaptamer package."""

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