Table 1 Molecular descriptors used for machine learning analysis.
From: Machine learning prediction of antiviral-HPV protein interactions for anti-HPV pharmacotherapy
ID | Molecular descriptor | Vector length |
|---|---|---|
1 | Drug molecule fingerprint | 1024 |
2 | Amino acid composition | 20 |
3 | Dipeptide composition | 400 |
4 | Tripeptide composition | 8000 |
5 | Normalized Moreau-Broto Autocorrelation | 240 |
6 | Moran Autocorrelation | 240 |
7 | Geary Autocorrelation | 240 |
8 | Composition descriptor | 21 |
9 | Transition descriptor | 21 |
10 | Distribution descriptor | 105 |
11 | Pseudo amino acid composition | 50 |
12 | Amphiphilic pseudo amino acid composition | 80 |
13 | Conjoint Triad | 343 |
Total | 10,784 |
