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Expand file tree Collapse file tree Original file line number Diff line number Diff line change @@ -13,6 +13,31 @@ class PSeAAC:
1313 selected physicochemical properties and sequence-order correlations as described in
1414 the PseAAC model by Chou.
1515
16+ The PSeAAC algorith uses 21 normalized physiochemical (NP) properties of amino
17+ acids, which we load from a predefined matrix using `aa_props`, the properties in
18+ order are:
19+ - Hydrophobicity
20+ - Hydrophilicity
21+ - Side-chain Mass
22+ - Polarity
23+ - Molecular Weight
24+ - Melting Point
25+ - Transfer Free Energy
26+ - Buriability
27+ - Bulkiness
28+ - Solvation Free Energy
29+ - Relative Mutability
30+ - Residue Volume
31+ - Volume
32+ - Amino Acid Distribution
33+ - Hydration Number
34+ - Isoelectric Point
35+ - Compressibility
36+ - Chromatographic Index
37+ - Unfolding Entropy Change
38+ - Unfolding Enthalpy Change
39+ - Unfolding Gibbs Free Energy Change
40+
1641 Each feature vector consists of:
1742 - 20 normalized amino acid composition features (frequency of each standard
1843 amino acid)
@@ -152,8 +177,8 @@ def transform(self, protein_sequence):
152177 Returns
153178 -------
154179 np.ndarray
155- A 1D NumPy array of length 50 * len(prop_groups), where len(prop_groups)
156- is the number of property groups used for feature extraction (7).
180+ A 1D NumPy array of length 50 * number of property groups used for
181+ feature extraction (7).
157182 Each 50-element block consists of:
158183 - 20 normalized amino acid composition features
159184 - 30 normalized sequence-order correlation factors (theta values)
Original file line number Diff line number Diff line change 1+ """Utils for the pyaptamer package."""
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