title: LIP index for peptide classification using MS/MS and SEQUEST search via logistic regression.
abstract: This study addresses the issue of peptide identification resulting from tandem mass spectrometry proteomics analysis followed by database search. This work shows that the Logistic Identification of Peptides (LIP) Index achieves high sensitivity and specificity for peptide classification relative to a manually verified "gold" standard and also accurately estimates the probability of a correct peptide match. The LIP Index is a weighted average of SEQUEST output variables based on logistic regression models and is a transparent, easy to use, inclusive, extendable, and statistically sound approach to classify correct peptide identifications. Modifications, such as normalizing cross-correlations (Xcorr) for peptide length, adjusting for charge state, and the number of tryptic termini, significantly improve the fit the logistic regression models, as well as increase sensitivity and specificity. The LIP Index also incorporates earlier developed statistical models on spectral quality assessment and peptide identification, which further improves sensitivity and specificity.
authors.affiliation: BIATECH, Bothell, Washington 98011, USA.
authors.forename: Roger
authors.initials: R
authors.lastname: Higdon
authors.forename: Natali
authors.initials: N
authors.lastname: Kolker
authors.forename: Alex
authors.initials: A
authors.lastname: Picone
authors.forename: Gerald
authors.initials: G
authors.lastname: van Belle
authors.forename: Eugene
authors.initials: E
authors.lastname: Kolker
mesh_terms: D000465:Algorithms; D001426:Bacterial Proteins / Q000737:chemistry; D002853:Chromatography, Liquid; D019295:Computational Biology / Q000379:methods*; D019992:Databases as Topic; D030562:Databases, Protein; D016015:Logistic Models; D013058:Mass Spectrometry / Q000379:methods*; D015233:Models, Statistical; D008962:Models, Theoretical; D010455:Peptides / Q000737:chemistry*; D011336:Probability; D011506:Proteins / Q000737:chemistry; D040901:Proteomics; D012372:ROC Curve; D012680:Sensitivity and Specificity; D012984:Software; D014357:Trypsin / Q000494:pharmacology
chemical_list: D001426:Bacterial Proteins; D010455:Peptides; D011506:Proteins; D014357:Trypsin