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Peptide-Based Drug Design

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144 Hilpert et al.<br />

Table 3<br />

Summary of Results of QSAR Studies on Antimicrobial Activity<br />

Number of Predicted to<br />

descriptors (set Accuracy of observed<br />

Ref. Models size) a Data description Methodb Data size predictionsc correlation(R2 ) d<br />

nd<br />

LOO 20 Plot of predicted to<br />

observed MICs<br />

shows good<br />

correlation<br />

12 Lactoferricin from<br />

bovine (LFB)<br />

Principal<br />

component<br />

analysis<br />

(PCA)<br />

Strom<br />

et al.,<br />

2001<br />

(73)<br />

Lactoferricin from<br />

murine (LFM)<br />

18 derivatives of LFM<br />

that varied at up to 4<br />

positions.<br />

Projections to<br />

latent<br />

structures<br />

(PLS)<br />

nd<br />

20 Good correlation<br />

visible in plot<br />

Single<br />

training set<br />

12 Lactoferricin from<br />

bovine (LFB)<br />

Lactoferricin from<br />

murine (LFM), plus<br />

18 derivatives of<br />

LFM that varied at up<br />

to 4 positions (same<br />

data as Strom et al.,<br />

2001)<br />

Projections to<br />

latent<br />

structures<br />

(PLS)<br />

Lejon<br />

et al.,<br />

2001<br />

(71)<br />

0.957 (E. coli)<br />

0.924<br />

(S. aureus)<br />

11 Prediction of 2<br />

peptides E. coli<br />

and S. aureus<br />

outside training<br />

set was poor<br />

15 LFB derivatives Single<br />

training set<br />

Projections to<br />

latent<br />

structures<br />

(PLS)<br />

Lejon<br />

et al.,<br />

2004<br />

(72)

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