2018
DOI: 10.22159/ijpps.2018v10i3.23734
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Combinatorial Pharmacophore Modeling and Atom Based 3d Qsar Studies of Benzothiadiazines as HCV-Ns5b Inhibitors

Abstract: Objective: The objective of the current study was to elucidate the 3D pharmacophoric features of benzothiadiazine derivatives that are crucial for inhibiting Hepatitis C virus (HCV) Non-structural protein 5B (NS5B) and quantifying the features by building an atom based 3D quantitative structure-activity relationship (3D QSAR) model. Methods:Generation of QSAR model was carried out using PHASE 3.3. Results:A five-point pharmacophore model with two hydrogen bond acceptors, one negative ionization potential and t… Show more

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“…Consequently, it showed less consistent results compared with the deep learning method with fingerprints, which used binary numbers that had absolute values, thereby producing an excellent learning material. Another factor that caused the validation value to be worse was the lacking number of training sets, and thus the learners were unable to predict all data correctly [14,15].…”
Section: Classification Of the Cathinone-and Cannabinoid-derived Compmentioning
confidence: 99%
“…Consequently, it showed less consistent results compared with the deep learning method with fingerprints, which used binary numbers that had absolute values, thereby producing an excellent learning material. Another factor that caused the validation value to be worse was the lacking number of training sets, and thus the learners were unable to predict all data correctly [14,15].…”
Section: Classification Of the Cathinone-and Cannabinoid-derived Compmentioning
confidence: 99%