Proteochemometrics large-scale

It is thus obvious that a systematic approach is needed, to apply PCM on a large scale. Some key factors to success can be identified, namely the use of experimental design to reduce the number of experiments and the development of proper database- and PCM-analysis tools for storage and management of data. Thus, having many thousands of potential macromolecular targets and an essentially unlimited number of interaction partners (i.e., drug-like structures, peptides, proteins, DNA, 

To reach this goal, multivariate approaches can be used. Thus, PCA can be applied to features so as to obtain a small number of uncorrelated factors. All these factors are then varied simultaneously (rather than one at a time) in a set of experiments, and the data obtained are analyzed by PLS and similar multivariate methods [20], 

1 International Human Genome Sequencing Consortium, Nature 2001, 409, 860-921 R. Service, Science 2001, 294, 2074-2077 G. C. Roberts, 

Jorgensen, Current Opin Chem. Biol 1997, 1, 449-457 CASP1-5, can be found at 

Prusis, R. Muceniece, P. Andersson, C. Post, T. Lundstedt, J. E. S. Wikberg, Biochim Biophys Acta 2001, 12,1544, 350-257 J. E.S Wikberg, F. Mutulis, 

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