A QSAR STUDY ON THE SCHIFF BASES OF 2, 4, 6-TRICHLOROPHENYLHYDRAZINE USING FREELY AVAILABLE ONLINE 2D DESCRIPTORS
Objective: This study gives a quantitative structure activity relationship (QSAR) correlation of the thirty schiff bases of 2, 4, 6-Trichlorophenylhydrazine reported by Khan et al as DPPH radical scavengers.
Method: Only 2D descriptors available on freely available PaDEL were considered for the present study. Stepwise regression was used as chemometric tool. The developed model was rigorously validated using several validation tools.
Results and Conclusion: The model indicates the importance of count of E-States for (strong) hydrogen bond donors, sum of E-State descriptors of strength for potential hydrogen bonds of path length 4 and count of E-State descriptors of strength for potential hydrogen bonds of path length 9 necessary for DPPH radical scavenging activity.
Key words: QSAR, schiff base, stepwise regression, validation,
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