A novel variable reduction method adapted from space-filling designs

Chemometrics and Intelligent Laboratory Systems

Volumn 136, Issue , 2014, Pages 147-154

  Ballabio, Davide ^a   Consonni, Viviana ^a   Mauri, Andrea ^a   Claeys Bruno, Magalie ^b   Sergent, Michelle ^b   Todeschini, Roberto ^a  

^a UNIVERSITY OF MILANO BICOCCA   (Italy)

^b Aix Marseille University   (France)

Author keywords

Linear correlation; Phan Tan Luu's algorithm; Sergent; Unsupervised variable reduction; Wootton

Indexed keywords

ALGORITHM; ARTICLE; CLASSIFICATION ALGORITHM; COMPUTER PREDICTION; INTERMETHOD COMPARISON; LINEAR SYSTEM; PRIORITY JOURNAL; PROCESS DEVELOPMENT; QUALITY CONTROL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SENSITIVITY ANALYSIS; V WSP ALGORITHM;

EID: 84902459396     PISSN: 01697439     EISSN: 18733239     Source Type: Journal    
DOI: 10.1016/j.chemolab.2014.05.010     Document Type: Article

References (38)

1. Bagheri S., Omidikia N., Kompany-Zareh M. Chemom. Intell. Lab. Syst. 2013, 128:135-143.
2. Consonni V., Ballabio D., Manganaro A., Mauri A., Todeschini R. Anal. Chim. Acta. 2009, 648:52-59.
3. Questier F., Put R., Coomans D., Walczak B., Vander Heyden Y. Chemom. Intell. Lab. Syst. 2005, 76:45-54.
4. Whitley D.C., Ford M.G., Livingstone D.J. J. Chem. Inf. Comput. Sci. 2000, 40:1160-1168.
5. Hawkins D.M. J. Chem. Inf. Comput. Sci. 2004, 44:1-12.
6. Livingstone D.J., Rahr E. Quant. Struct.-Act. Relat. 1989, 8:103-108.
7. Todeschini R., Consonni V., Maiocchi A. Chemom. Intell. Lab. Syst. 1999, 46:13-29.
8. Jolliffe I.T. Principal Component Analysis 1986, Springer-Verlag, New York.
9. Marengo E., Todeschini R. Chemom. Intell. Lab. Syst. 1992, 16:37-44.
10. Santiago J., Claeys-Bruno M., Sergent M. Chemom. Intell. Lab. Syst. 2012, 113:26-31.
11. Kennard R.W., Stone L.A. Technometrics 1969, 11:137-148.
12. Golbraikh A., Shen M., Xiao Z., Xiao Y., Lee K.H. J. Comput. Aided Mol. Des. 2003, 17:241-253.
13. Golbraikh A., Tropsha A. J. Comput. Aided Mol. Des. 2002, 16:357-369.
14. Sergent M., Phan-Tan-Luu R., Elguero J. An. Quim. 1997, 93:71-75.
15. Sergent M., Phan-Tan-Luu R., Elguero J. An. Quim. 1997, 93:295-300.
16. Sergent M. Contribution de la Méthodologie de la Recherche Expérimentale à l'élaboration de matrices uniformes: application aux effets de solvants et de substituants 1989, (PhD thesis).
17. Beal A., Claeys-Bruno M., Sergent M. Chemom. Intell. Lab. Syst. 2014, 133:84-91.
18. Todeschini R. Anal. Chim. Acta. 1997, 348:419-430.
19. Krzanowski W.J. Principles of Multivariate Analysis 2000, Clarendon Press, Oxford.
20. Kendall D.G. Stat. Sci. 1989, 2:87-99.
21. Gower J.C. Psychometrika 1975, 40:33-51.
22. Kaiser H.F. Educ. Psychol. Meas. 1960, 20:141-151.
23. Talete srl Dragon (Software for Molecular Descriptor Calculation), Version 6.0 - 2013 http://www.talete.mi.it/.
24. Todeschini R., Ballabio D., Consonni V., Manganaro A., Mauri A. Anal. Chim. Acta. 2009, 648:45-51.
25. Jeffers J.N.R. Appl. Stat. 1967, 16:225-236.
26. Streuli H. Lebensm. Technol. 1987, 20:211.
27. Mansouri K., Ringsted T., Ballabio D., Todeschini R., Consonni V. J. Chem. Inf. Model. 2013, 53:867-878.
28. Rosenberg S.A., Hueber A.E., Aronson D., Gouchie S., Howard P.H., Meylan W.M., Tunkel J.L. Sci. Technol. Lib. 2004, 23:73-87.
29. Meylan W.M., Howard P.H. J. Pharm. Sci. 1995, 84:83-92.
30. Loh W.Y. Stat. Sin. 2002, 12:361-386.
31. Daszykowski M., Walczak B., Massart D.L. Anal. Chim. Acta. 2002, 468:91-103.
32. Barker M., Rayens W.S. J. Chemom. 2003, 17:166-173.
33. Leardi R. J. Chemom. 2000, 14:643-655.
34. Leardi R., Lupianez A. Chemom. Intell. Lab. Syst. 1998, 41:195-207.
35. Varmuza K., Filzmoser P. Introduction to Multivariate Statistical Analysis in Chemometrics 2009, CRC press, Boca Raton, FL.
36. Kowalski B.R., Bender C.F. Anal. Chem. 1972, 44:1405-1411.
37. Consonni V., Ballabio D., Todeschini R. J. Chem. Inf. Model. 2009, 49:1669-1678.
38. Consonni V., Ballabio D., Todeschini R. J. Chemom. 2010, 24:194-201.