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Discovery of new bioactive leads for subsequent optimization into drugs is both time consuming and expensive process. Two main approaches are currently available for lead discovery, namely, high throughput (in vitro) screening and computer-aided virtual (in silico) screening. Normally, in silico techniques are implemented as pre-filters to enrich the success rates of high throughput screening campaigns.

Mixing Pharmacophore Modeling and Classical QSAR Analysis as Powerful Tool for Lead Discovery