Table 1.
Molecular descriptors used for machine learning analysis.
| 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 |