Table 2.
Peptide features for drift time prediction
| Index | Feature description |
|---|---|
| 1 | Molecular weight |
| 2 | Normalized elution time (Petritis et al., 2006) |
| 3 | Peptide length |
| 4 | Gas phase basicity (Zhang, 2004) |
| 5 | Number of non-polar hydrophobic residues |
| 6 | Number of uncharged polar hydrophilic residues |
| 7 | Number of positively charged polar hydrophilic residues |
| 8 | Number of negatively charged polar hydrophilic residues |
| 9 | Hydrophobicity—Eisenberg scale (Eisenberg et al., 1984) |
| 10 | Hydrophilicity—Hopp–Woods Scale (Hopp and Woods, 1983) |
| 11 | Hydropathicity—Roseman scale (Roseman, 1988) |
| 12 | Polarity—Zimmerman polarity (Zimmerman et al., 1968) |
| 13 | Bulkiness (Zimmerman et al., 1968) |
| 14–134 | 120 dimensional encoding for structure |