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Table 1 Features constituting the sss feature set

From: Peak intensity prediction in MALDI-TOF mass spectrometry: A machine learning study to support quantitative proteomics

feature ID

explanation

selected

GB500

Estimated gas-phase basicity at 500 K (Zhang et al., 2004)

20

VASM830103

Relative population of conformational state E (Vasquez et al., 1983)

11

NADH010106

Hydropathy scale (36% accessibility) (Naderi-Manesh et al., 2001)

9

FAUJ880111

Positive charge (Fauchere et al., 1988)

6

WILM950102

Hydrophobicity coefficient in RP-HPLC, C8 with 0.1%TFA/MeCN/H2O (Wilce et al. 1995)

6

OOBM850104

Optimized average non-bonded energy per atom (Oobatake et al., 1985)

2

mass

Molecular mass of the peptide

-

KHAG800101

The Kerr-constant increments (Khanarian-Moore, 1980)

-

NADH010107

Hydropathy scale (50% accessibility) (Naderi-Manesh et al., 2001)

-

ROBB760107

Information measure for extended without H-bond (Robson-Suzuki, 1976)

-

FINA770101

Helix-coil equilibrium constant (Finkelstein-Ptitsyn, 1977)

-

ARGP820102

Signal sequence helical potential (Argos et al., 1982)

-

R

No. of arginine residues

20

F

No. of phenylalanine residues

20

M

No. of methionine residues

17

Q

No. of glutamine residues

5

Y

No. of tyrosine residues

4

H

No. of histidine residues

-

  1. The "selected" column shows the number of times out of twenty runs of a forward stepwise selection that selected the corresponding feature. Hand-picked features are printed in bold face. Feature selection on the aa (above the separating line) and seq (below) feature set were done independently of each other. The seq feature set fully includes mono. No di- or tri-peptide string was selected consistently.