Articles with "molecular pair" as a keyword



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Turbocharging Matched Molecular Pair Analysis: Optimizing the Identification and Analysis of Pairs.

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Published in 2017 at "Journal of chemical information and modeling"

DOI: 10.1021/acs.jcim.7b00335

Abstract: We have applied the two most commonly used methods for automatic matched pair identification, obtained the optimum settings, and discovered that the two methods are synergistic. A turbocharging approach to matched pair analysis is advocated… read more here.

Keywords: pair analysis; turbocharging matched; analysis; molecular pair ... See more keywords