Evaluation of a generalized use of the log Sum(k+1)AA descriptor in a QSRR model to predict peptide retention on RPLC systems

Journal of Separation Science

Volumn 32, Issue 12, 2009, Pages 2075-2083

  Bodzioch, Karolina ^a,b   Dejaegher, Bieke ^a   Baczek, Tomasz ^b,c   Kaliszan, Roman ^b,c   Heyden, Yvan Vander ^a  

^a VRIJE UNIVERSITEIT BRUSSEL   (Belgium)

^b MEDICAL UNIVERSITY OF GDANSK   (Poland)

^c NICOLAUS COPERNICUS UNIVERSITY   (Poland)

Author keywords

Molecular descriptors; Peptides; Proteomics; Quantitative structure retention relationships; RP LC retention

Indexed keywords

ANALYTICAL CHEMISTS; CHROMATOGRAPHIC SEPARATIONS; CROSS VALIDATION; DESCRIPTOR; IDENTIFICATION OF PROTEINS; LEAVE-ONE-OUT; MODEL PEPTIDES; MOLECULAR DESCRIPTORS; PREDICTIVE ABILITIES; PROTEOMICS; QUANTITATIVE STRUCTURE-RETENTION RELATIONSHIPS; RATIONAL OPTIMIZATION; RETENTION MEASUREMENT; RP-LC RETENTION;

AMINO ACIDS; LIQUID CHROMATOGRAPHY; MOLECULAR BIOLOGY; ORGANIC ACIDS; PEPTIDES; PINCH EFFECT; SULFUR COMPOUNDS;

AMINES;

AMINO ACID ANALYSIS; ANALYTIC METHOD; ARTICLE; EVALUATION RESEARCH; EXPERIMENTAL STUDY; PEPTIDE ANALYSIS; PRIORITY JOURNAL; PROCESS OPTIMIZATION; PROTEIN SECONDARY STRUCTURE; QUANTITATIVE STRUCTURE RETENTION RELATIONSHIP; REVERSED PHASE LIQUID CHROMATOGRAPHY; STATISTICAL ANALYSIS; STATISTICAL MODEL; STRUCTURAL BIOINFORMATICS; VALIDATION PROCESS;

AMINO ACID SEQUENCE; CHROMATOGRAPHY, HIGH PRESSURE LIQUID; COMPUTER SIMULATION; MOLECULAR SEQUENCE DATA; PEPTIDES; PROTEIN CONFORMATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 67649988846     PISSN: 16159306     EISSN: 16159314     Source Type: Journal    
DOI: 10.1002/jssc.200900030     Document Type: Article

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