Ranking methods

Wilton DJ, Willett P, Mullier G, Lawson K. Comparison of ranking methods for virtual screening in lead-discovery programmes. J Chem Inf Comput Sci 2003 43 469-74. 

Basically, we make a distinction between methods which are carried out in the space defined by the original variables (Section 34.4) or in the space defined by the principal components. A second distinction we can make is between full-rank methods (Section 34.2), which consider the whole matrix X, and evolutionary methods (Section 34.3) which analyse successive sub-matrices of X, taking into account the fact that the rows of X follow a certain order. A third distinction we make is between general methods of factor analysis which are applicable to any data matrix X, and specific methods which make use of specific properties of the pure factors. 

Several programs have been developed for docking ligands into receptors (see O Table 12-3). These programs differ in the treatment of the ligands and the ranking methods. Efficiency and accuracy are... 

Wilton DJ, Willett P, Lawson K, MuUier G. (2003) Comparison of Ranking Methods for Virtual Screening in Lead-Discovery Programs. /. Chem. Inf. Comp. Set. 43 469-474. 

To understand the context of these other techniques, one should put them in perspective. One can rank methods for obtaining information in order of increasing confidence that the conclusions are valid. The order would be a single memorable case, a series of memorable cases, and a series of consecutive cases. The control observations for these would be historical controls, either articulated by the observer or merely understood. The assumption with the use of historical controls is that the controls are comparable to the patients and that the outcome of the treated patients if not given the new treatment would be identical to the historical controls. Often initial therapeutic trials of new cancer drugs are done in a consecutive series of treated patients and compared to historical controls. In these studies, the controls are usually not articulated. The authors assume that the natural course of the disease is so predictable in these patients that change from the predicted course is due to the drug. The validity of this assumption must be carefully examined when one interprets any study that is a case series. 

Adler N, Friedman L, Sinuany-Stern Z (2002) Review of ranking methods in the data envelopment analysis context. European Journal of Operational Research 140 249-265... 

Problems of choosing responses of complex research subjects have been analyzed. The optimization parameter is, in fact, a reaction or response to factor level changes that define the status of a research subject. Responses may be economic, technoeco-nomic, technical-technological, statistical, psychological, etc. A response should be quantitative, singular, statistically effective, universal, physically real, simple and easily measurable. For responses with no quantitative measurement, the ranking method is used. Out of all responses typical for a research subject, only one or a general response is taken. Other responses are used as constraints. 

P. Vankeerberghen, J. Smeyers-Verbeke, D. Massart, The slope ranking method for homoscedastic calibration lines, Analusis, 23 (1995), 247-249. 

The scores achieved by each pollution prevention option under each of the ranking methods are summarized in Table XVII. disregarding minor differences between option scores, the scores achieved under each method are grouped into high, medium, or low categories. The absence of a ranking score under a particular ranking method indicates that option received a low score for that method. 

The QShAR (Quantitative Shape-Activity Relations) method, combined with the integrated main and side effect modeling of bioactive molecules, forms the conceptual basis of the approaches described in this chapter. The density scalable FSGH method for a simple representation of molecular bodies, in combination with the Shape Group Method and various other shape code approaches for quantitative shape analysis, as well as the multiple shape ranking methods for integrated main and side effect analysis, are the components of a computational implementation of the basic concepts. 

Ott LS, Finke RG (2007) Transition-metal nanocluster stabilization for catalysis a critical review of ranking methods and putative stabilizers. Coord Chem Rev 251 1075 Yang J, Lee JY, Too H-P (2006) Size effect in thiol and amine binding to small Pt nanoparticles. Anal Chim Acta 571 206... 

Ranking based on regional and global exposure estimations and qualitative human health and ecological toxicity assessment - European Union Risk Ranking Method. 

Hansen BG, van Haelst AG, van Leeuwen K, and van der Zandt P (1999) Priority setting for existing chemicals European Union risk ranking method. Environmental Toxicology and Chemistry 18 772-779. 

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