2020
DOI: 10.2174/1570163816666190411110331
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Hybrid Design of Isonicotinic Acid Hydrazide Derivatives: Machine Learning Studies, Synthesis and Biological Evaluation of their Antituberculosis Activity

Abstract: Background: Tuberculosis (TB) is an infection disease caused by Mycobacterium tuberculosis (Mtb) bacteria. One of the main causes of mortality from TB is the problem of Mtb resistance to known drugs. Objective: The goal of this work is to identify potent small molecule anti-TB agents by machine learning, synthesis and biological evaluation. Methods: The On-line Chemical Database and Modeling Environment (OCHEM) was used to build predictive machine learning models. Seven compounds were synthesized and teste… Show more

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Cited by 4 publications
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“…Seven of these were active against a wild type TB strain and three were active against a strain resistant to isoniazid and rifampicin. Subsequent studies of isonicotinic acid hydrazide derivatives generated models that could predict the test set with balanced accuracies of 67-79% within the domain of applicability of the models (the region of chemical space for which the model is most accurate) (Kovalishyn et al, 2020).…”
Section: Tuberculosismentioning
confidence: 99%
“…Seven of these were active against a wild type TB strain and three were active against a strain resistant to isoniazid and rifampicin. Subsequent studies of isonicotinic acid hydrazide derivatives generated models that could predict the test set with balanced accuracies of 67-79% within the domain of applicability of the models (the region of chemical space for which the model is most accurate) (Kovalishyn et al, 2020).…”
Section: Tuberculosismentioning
confidence: 99%