3D Ligand-based virtual screening techniques of ChemAxon

webinar · 8 years ago
by Dániel Szisz (ChemAxon)

Ligand-based virtual screening has become an essential approach of modern-day drug discovery. Its success partly stems from the fact that it does not rely on any knowledge about the 3D structure of the biological target of interest. Common ligand-based techniques use 2D similarity to screen compound libraries; however, over the last decade 3D shape-based techniques have also emerged and advanced. This webinar would like to give an insight into how 3D ligand-based virtual screening techniques of ChemAxon work. The webinar is based on a new benchmark study - recently published in the Journal of Chemical Information and Modeling - and besides technical details it also presents practical usage and real-life workflows.

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