Skip to content

Commit 71cfd9a

Browse files
committed
Revert "Made requested changes"
This reverts commit c14c0bb.
1 parent 180a957 commit 71cfd9a

1 file changed

Lines changed: 27 additions & 41 deletions

File tree

pyaptamer/pseaac/_features.py

Lines changed: 27 additions & 41 deletions
Original file line numberDiff line numberDiff line change
@@ -13,52 +13,39 @@ class PSeAAC:
1313
selected physicochemical properties and sequence-order correlations as described in
1414
the PseAAC model by Chou.
1515
16-
The PSeAAC algorithm uses normalized physicochemical (NP) properties of amino
17-
acids, which we load from a predefined matrix using `aa_props`. These properties
18-
can be grouped using one of the following options:
19-
20-
21-
- `prop_indices`: A list of property indices (0-based) to use (e.g.,
22-
`prop_indices=[3, 4, 8]` uses property groups [Polarity, Molecular Weight,
23-
Bulkiness] (refer table below)).
24-
- If `group_props` is an integer, the selected properties are grouped into chunks of
25-
that size (e.g., `group_props=3` groups into sets of 3). If `group_props` is None,
26-
then each property is treated as its own group.
27-
- If `custom_groups` is provided, it overrides all other logic. It must be a list of
28-
lists, where each sublist contains indices (0-based) of properties to group
29-
together. (e.g., `prop_indices=[[3, 4], [8]]` groups Polarity and Molecular Weight
30-
together, and Bulkiness is its own group).
16+
The PSeAAC algorith uses 21 normalized physiochemical (NP) properties of amino
17+
acids, which we load from a predefined matrix using `aa_props`.These 21 properties
18+
are grouped into 7 distinct property groups, with each group containing
19+
3 consecutive properties. Specifically, the groups are arranged in order as follows:
20+
Group 1 includes properties 1–3, Group 2 includes properties 4–6, and so on, up to
21+
Group 7, which includes properties 19–21.
3122
3223
3324
The properties in order are:
34-
35-
36-
0. Hydrophobicity
37-
1. Hydrophilicity
38-
2. Side-chain Mass
39-
3. Polarity
40-
4. Molecular Weight
41-
5. Melting Point
42-
6. Transfer Free Energy
43-
7. Buriability
44-
8. Bulkiness
45-
9. Solvation Free Energy
46-
10. Relative Mutability
47-
11. Residue Volume
48-
12. Volume
49-
13. Amino Acid Distribution
50-
14. Hydration Number
51-
15. Isoelectric Point
52-
16. Compressibility
53-
17. Chromatographic Index
54-
18. Unfolding Entropy Change
55-
19. Unfolding Enthalpy Change
56-
20. Unfolding Gibbs Free Energy Change
25+
1. Hydrophobicity
26+
2. Hydrophilicity
27+
3. Side-chain Mass
28+
4. Polarity
29+
5. Molecular Weight
30+
6. Melting Point
31+
7. Transfer Free Energy
32+
8. Buriability
33+
9. Bulkiness
34+
10. Solvation Free Energy
35+
11. Relative Mutability
36+
12. Residue Volume
37+
13. Volume
38+
14. Amino Acid Distribution
39+
15. Hydration Number
40+
16. Isoelectric Point
41+
17. Compressibility
42+
18. Chromatographic Index
43+
19. Unfolding Entropy Change
44+
20. Unfolding Enthalpy Change
45+
21. Unfolding Gibbs Free Energy Change
5746
5847
5948
Each feature vector consists of:
60-
61-
6249
- 20 normalized amino acid composition features (frequency of each standard
6350
amino acid)
6451
- 30 sequence-order correlation features based on physicochemical similarity between
@@ -67,7 +54,6 @@ class PSeAAC:
6754
resulting in a final vector of length 50 × number of property groups.
6855
For example, if there are 7 groups, the output length is 350 ((20 + 30) * 7 = 350).
6956
70-
7157
References
7258
----------
7359
Shen HB, Chou KC. PseAAC: a flexible web server for generating various kinds of

0 commit comments

Comments
 (0)