Heterocyclic-Based Analogues against Sarcine-Ricin Loop RNA from Escherichia coli: In Silico Molecular Docking Study and Machine Learning Classifiers

CONCLUSION: The dataset from the molecular docking study was used for additional optimum analysis, and the molecular descriptors were classified using a variety of machine learning classifiers, including the GB Classifier, CB Classifier, RF Classifier, SV Classifier, KNN Classifier, and Voting Classifier. The research presented here showed that heterocyclic derivatives may operate as potent antibacterial agents when combined with other compounds to produce highly efficient antibacterial agents.PMID:38333980 | DOI:10.2174/0115734064266329231228050535

Source: Medicinal Chemistry - February 9, 2024 Category: Chemistry Authors: Shivangi Sharma Rahul Choubey Manish Gupta Shivendra Singh Source Type: research