3D-QSAR methodologies represent a useful, widespread tool in drug discovery and optimisation. Here we introduce an alternative QSAR tool for model generation: the non-linear Response Surface Analysis, that finds at present great application in Design of Experiment for optimizing drug production processes. Binding affinity estimation of human A3 adenosine receptor antagonists is considered as key study.
Keywords: 3D-QSAR, Response Surface Analysis, Adenosine receptors
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