document: Improving the predicting power of partial order based QSARs through linear extensions Partial order theory -LRB- POT -RRB- is an attractive and operationally simple method that allows ordering of compounds , based on selected structural and/or electronic descriptors -LRB- modeled order -RRB- , or based on their end points , e.g. , solubility -LRB- experimental order -RRB- . If the modeled order resembles the experimental order , compounds that are not experimentally investigated can be assigned a position in the model that eventually might lead to a prediction of an end-point value . However , in the application of POT in quantitative structure-activity relationship modeling , only the compounds directly comparable to the noninvestigated compounds are applied . To explore the possibilities of improving the methodology , the theory is extended by application of the so-called linear extensions of the model order . The study show that partial ordering combined with linear extensions appears as a promising tool providing probability distribution curves in the range of possible end-point values for compounds not being experimentally investigated
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