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Multidrug resistance poses a severe threat to human health. The existence of efflux pumps is the primary contributor to resistance in Gram-negative bacterial infections. Efflux pump inhibitors (EPIs) can potentially improve the efficacy of antibiotics and reduce bacterial pathogenicity by inhibiting the mechanism of these pumps. The study introduces AcrA_Ipred, and AcrB_Ipred prediction tools, developed by collecting and archiving structural moieties from literature-reported EPIs. The designed web interface is publicly accessible for in silico efflux pump inhibition prediction, which will constantly be growing and regularly updated. The web interface takes the SMILES format of chemical structure as an input. Users can also draw the 2D structure and get the output report of the possible structural similarity profile, similarity percentage, and the active moieties present in compound. The developed tools can be utilized to make decisions on whether a compound should be examined experimentally or disregarded. The structural similarity-based screening can aid in the identification of potential EPIs that might bind to the AcrAB-TolC pump subunits, alter its structure in vivo, prevent efflux, and enhance antibiotic efficacy in Escherichia coli (E. coli) and other Gram-negative bacteria. Overall, the webserver increases the chemical and mechanistic diversity of EPIs and proposes mechanistic insights to regulate the efflux pump assembly & its function, ultimately aiding in the fight against antibiotic resistance.