title: Rapid analysis of high-dimensional bioprocesses using multivariate spectroscopies and advanced chemometrics.
abstract: There are an increasing number of instrumental methods for obtaining data from biochemical processes, many of which now provide information on many (indeed many hundreds) of variables simultaneously. The wealth of data that these methods provide, however, is useless without the means to extract the required information. As instruments advance, and the quantity of data produced increases, the fields of bioinformatics and chemometrics have consequently grown greatly in importance. The chemometric methods nowadays available are both powerful and dangerous, and there are many issues to be considered when using statistical analyses on data for which there are numerous measurements (which often exceed the number of samples). It is not difficult to carry out statistical analysis on multivariate data in such a way that the results appear much more impressive than they really are. The authors present some of the methods that we have developed and exploited in Aberystwyth for gathering highly multivariate data from bioprocesses, and some techniques of sound multivariate statistical analyses (and of related methods based on neural and evolutionary computing) which can ensure that the results will stand up to the most rigorous scrutiny.
authors.affiliation: Institute of Biological Sciences, University of Wales, Aberystwyth, Ceredigion, UK. ais@aber.ac.uk
authors.forename: A D
authors.initials: AD
authors.lastname: Shaw
authors.forename: M K
authors.initials: MK
authors.lastname: Winson
authors.forename: A M
authors.initials: AM
authors.lastname: Woodward
authors.forename: A C
authors.initials: AC
authors.lastname: McGovern
authors.forename: H M
authors.initials: HM
authors.lastname: Davey
authors.forename: N
authors.initials: N
authors.lastname: Kaderbhai
authors.forename: D
authors.initials: D
authors.lastname: Broadhurst
authors.forename: R J
authors.initials: RJ
authors.lastname: Gilbert
authors.forename: J
authors.initials: J
authors.lastname: Taylor
authors.forename: E M
authors.initials: EM
authors.lastname: Timmins
authors.forename: R
authors.initials: R
authors.lastname: Goodacre
authors.forename: D B
authors.initials: DB
authors.lastname: Kell
authors.forename: B K
authors.initials: BK
authors.lastname: Alsberg
authors.forename: J J
authors.initials: JJ
authors.lastname: Rowland
mesh_terms: D000465:Algorithms; D018533:Biomass; D002138:Calibration; D003627:Data Interpretation, Statistical; D004566:Electrodes; D005434:Flow Cytometry; D013058:Mass Spectrometry / Q000379:methods; D015999:Multivariate Analysis; D013055:Spectrophotometry, Infrared / Q000379:methods*; D013057:Spectrum Analysis / Q000379:methods*; D013059:Spectrum Analysis, Raman / Q000379:methods*