JOURNAL OF DRUGS AND PHARMACEUTICAL SCIENCE
Integrity Research Journals
ISSN: 2705-2222
Model: Open Access/Peer Reviewed
DOI: 10.31248/JDPS
Start Year: 2016
Email: jdps@integrityresjournals.org
ISSUE (Vol.4 (3) - August 30th, 2020)
A Comparative Qsar Analysis, 3d-qsar, Molecular Docking And Molecular Design Of Iminoguanidine-based Inhibitors Of Hemo: A Rational Approach To Antibacterial Drug Design
QSAR models of 25 iminoguanidine derivatives with inhibitory HemO were developed. The QSAR model was built by using DFT-MLR and the best QSAR model has R2, Q2 values of 0.6569 and 0.5493 for cross-validated and non-cross-validated. The predictive ability of QSAR model was further validated by a test set of 7 compounds, giving R2pred value of 0.7123. 3D-QSAR and... Continue here
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