caption: Main Classes of Virtual Screening Methods Depend on the amount of structural and bioactivity data available -- One active molecule known: perform similarity search (ligand-based virtual screening) -- Several active molecules known: try to identify a common 3D pharmacophore, then do a 3D database search -- Reasonable number of active and inactive structures known: train a machine learning technique (with the help of Molecular descriptors or Molecular properties) -- 3D structure of the protein known: use protein-ligand docking
exif: {}