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In present study, at the beginning, the molecules whose biological properties are known are well-thought-out as a known set for regression analysis model building purpose. Using the Datawarrior software the descriptors were calculated for known set. Novel substituted 4-hydrazinylqunoline molecules were designed, improved and their descriptors were calculated. Morever, the regression analysis model was used to determine the biological activities of these new molecules. Along with this, the inhibition studies for 1QPQ and 1KNC by molecular docking method were also carried out to validate the therapeutic nature of these molecules. Accordingly, it can be concluded that these moieties on further studies may evident to be therapeutic representative against Mycobacterium tuberculosis.