The evaluation of two-step multivariate adaptive regression splines for chromatographic retention prediction of peptides

Proteomics

Volumn 7, Issue 10, 2007, Pages 1664-1677

  Put, Raf ^a   Vander Heyden, Yvan ^a  

^a PHARMACEUTICAL INSTITUTE   (Belgium)

Author keywords

Peptides; Prediction of retention; Quantitative structure retention relationships; TMARS; UVE PLS

Indexed keywords

PEPTIDE;

AMINO ACID SEQUENCE; CHROMATOGRAPHY; CONFERENCE PAPER; INTERMETHOD COMPARISON; MATHEMATICAL COMPUTING; MULTIVARIATE LOGISTIC REGRESSION ANALYSIS; PRIORITY JOURNAL; QUANTITATIVE ANALYSIS;

AMINO ACID SEQUENCE; CHROMATOGRAPHY, LIQUID; MATHEMATICS; MOLECULAR SEQUENCE DATA; MULTIVARIATE ANALYSIS; PEPTIDES; REGRESSION ANALYSIS;

EID: 34249723139     PISSN: 16159853     EISSN: 16159861     Source Type: Journal    
DOI: 10.1002/pmic.200600676     Document Type: Conference Paper

References (27)

1. Cabrera, K., Lubda, D., Eggenweiler, H., Minakuchi, H., Nakanishi, K., J. High Resolut. Chromatogr. 2000, 23, 93-99.
2. Lubda, D., Cabrera, K., Kraas, W., Schaefer, C., Cunningham, D., LC GC Europe 2001, 14, 730-734.
3. MacNair, J. E., Lewis, K. C., Jorgenson, J. W., Anal. Chem. 1997, 69, 983-989.
4. MacNair, J. E., Patel, K. D., Jorgenson, J. W., Anal. Chem. 1999, 71, 700-708.
5. Swartz, M. E., LC GC 2005, 23, 8-14.
6. Swartz, M. E., J. Liq. Chromatogr. Relat. Technol. 2005, 28, 1253-1263.
7. Van Gyseghem, E., Dejaegher, B., Put, R., Forlay-Frick, P. et al., J. Pharm. Biomed. 2006, 41, 141-151.
8. Put, R., Xu, Q. S., Massart, D. L., Vander Heyden, Y., J. Chromatogr. A 2004, 1055, 11-19.
9. Baczek, T., Bucinski, A., Ivanov, A. R., Kaliszan, R., Anal. Chem. 2004, 76, 1726-1732.
10. Baczek, T., Wiczling, P., Marszall, M., Vander Heyden, Y., Kaliszan, R., J. Proteome Res. 2005, 4, 555-563.
11. Kaliszan, R., Quantitative Structure-Chromatographic Retention Relationships, Wiley-Interscience, New York 1987.
12. Kaliszan, R., van Straten, M. A., Markuszewski, M., Cramers, C. A., Claessens, H. A., J. Chromatogr. A 1999, 855, 455-486.
13. Baczek, T., Kaliszan, R., Novotná, K., Jandera, P., J. Chromatogr. A 2005, 1075, 109-115.
14. Hancock, T., Put, R., Vander Heyden, Y., Coomans, D., Everingham, Y., Chemom. Intell. Lab. Syst. 2005, 76, 185-196.
15. Put, R., Perrin, C., Questier, F., Coomans, D. et al., J. Chromatogr. A 2003, 988, 261-276.
16. Baczek, T., Kaliszan, R., J. Chromatogr. A 2003, 987, 29-37.
17. Friedman, J. H., Ann. Stat. 1991, 19, 1-141.
18. Xu, Q. S., Massart, D. L., Liang, Y. Z., Fang, K. T., J. Chromatogr. A 2003, 998, 155-167.
19. Sekulic, S., Kowalski, B. R., J. Chemometr. 1992, 6, 199-216.
20. Martens, H., Naes, T., Multivariate Calibration, Wiley, Chichester 1989.
21. Naes, T., Isaksson, T., Fearn, T., Davies, T., Multivariate Calibration and Classification, NIR Publications, Chichester 2002.
22. Centner, V., Massart, D. L., de Noord, O. E., de Jong, S. et al., Anal. Chem. 1996, 68, 3851-3858.
23. Todeschini, R., Consonni, V., Handbook of Molecular Descriptors, Wiley, Weinheim 2000.
24. Kaliszan, R., Baczek, T., Cimochowska, A., Juszczyk, P. et al., Proteomics 2005, 5, 409-415.
25. Kennard, R. W., Stone, L. A., Technometrics 1969, 11, 137-148.
26. Daszykowski, M., Walczak, B., Massart, D. L., Anal. Chim. Acta 2002, 468, 91-103.
27. IUPAC-IUB Commission on Biochemical Nomenclature, J. Biol. Chem. 1968, 243, 3557-3559.