Journal
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
Volume 643, Issue 24, Pages 2149-2157Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/zaac.201700347
Keywords
Inhibition efficiency; Structural parameter; Pyridine; Imidazole; Correlation
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Funding
- research committee of Malek-ashtar University of Technology (MUT)
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A novel method for prediction of the inhibition efficiency of pyridine and imidazole derivatives is proposed. It does not require computer codes and unusual descriptors. It is based on the number of bromine atoms, the sum of the number of carbon and nitrogen atoms, and different structural factors. For 30 inhibitors, the root means squared (RMS) deviation of the new method is 4.00, which is lower than the best available method, i.e. 19.22. High reliability of new model is also tested for further 17 derivatives of pyridine and imidazole, where the value of RMS deviation is 6.17 for these data.
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