The death of the Job plot, transparency, open science and online tools, uncertainty estimation methods and other developments in supramolecular chemistry data analysis

Data analysis is central to understanding phenomena in host–guest chemistry. We describe here recent developments in this field starting with the revelation that the popular Job plot method is inappropriate for most problems in host–guest chemistry and that the focus should instead be on systematica...

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Bibliographic Details
Published in:Chemical communications (Cambridge, England) England), 2016-01, Vol.52 (87), p.12792-12805
Main Authors: Brynn Hibbert, D., Thordarson, Pall
Format: Article
Language:English
Subjects:
Binding
case studies
chemical compounds
chemical reactions
Computer programs
Computer simulation
computer software
Data processing
drugs
inhibitory concentration 50
Rate constants
Software
Supramolecular compounds
Uncertainty
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