QSAR modeling of Quinoline derivatives as potential target for Hepatitis B virus

QSAR modeling of Quinoline derivatives as potential target for Hepatitis B virus

The goal of the present study is the exploration of data from different families of compounds through the use of a variety of machine learning techniques so that robust QSAR-based models can be developed to further guide in the quest for new potent Hepatitis B virus compounds. In this work quantitative structure-activity relationship (QSAR) study has been done on 6-chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl) quinolin-2(1H)-one and related compounds as Hepatitis B drugs. Multiple linear ...

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QSAR study of 1- Aminobenzyl-1H-indazole-3-carboxamide Analogues For the treatment of Hepatitis C

QSAR study of 1- Aminobenzyl-1H-indazole-3-carboxamide Analogues For the treatment of Hepatitis C

In this work quantitative structure-activity relationship (QSAR) study has been done on 1- Aminobenzyl-1H-indazole-3-carboxamide Analogues as anti-Hepatitis C drugs. Genetic algorithm (GA), artificial neural network (ANN) were used to create QSAR models. The root-mean square errors of the training set and the test set for GA models using the jack-knife method, were 741.73, 741375and R0 = 7.68. The results obtained from this work indicate that ANN and GA models are more effective than other ...

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