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From
Development of a Predictive Model of the Antidiabetic Activity of a Thiadiazole Molecule Series by Density Functional Theory Method
Chiépi Nadège Dominique Dou, Mamadou Guy-Richard Koné, Georges Stéphane Dembélé, Doh Soro, Fandia Konaté, Nahossé Ziao
Journal of Materials Physics and Chemistry
.
2022
, 10(2), 49-58 doi:10.12691/jmpc-10-2-3
Table 1. Physico-chemical descriptors and experimental pIC50 of the test and validation sets
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Table 2. Correlation matrix between the different physico-chemical descriptors
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Table 3. Statistical analysis report of the potential inhibitory concentration (pIC) of thiadiazole derivatives in the RLM model
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Table 4. Randomised coefficients of determination (R2r) of the ten (10) iterations
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Table 5. Tropsha criteria checks of the RLM external validation set
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Table 6. Roy criteria check of the external validation set of the RLM model
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Table 7. Statistical analysis ratio of the blood glucose potential (pIC50) of 1,3,4-thiadiazole derivatives in the NMR model
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Table 8. Randomised coefficients of determination (R2r) of the ten (10) iterations
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Table 9. Tropsha criteria checks of the external validation set of the RLM model
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Table 10. Roy criteria check of the RLNM external validation set
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