Quantitative structure–activity relationship to predict the anti-malarial activity in a set of new imidazolopiperazines based on artificial neural networks

摘要

BackgroundAfter years of efforts on the control of malaria, it remains as a most deadly infectious disease. A major problem for the available anti-malarial drugs is the occurrence of drug resistance in Plasmodium. Developing of new compounds or modification of existing anti-malarial drugs is an effective approach to face this challenge. Quantitative structure activity relationship (QSAR) modelling plays an important role in design and modification of anti-malarial compounds by estimation of the activity of the compounds.