possible QSAR queries for database search

• list/show me all used ligands/receptors for the calculation (2D graphic)
  (here it would be useful, if arbitrary names for ligands/receptors, which are used in different programs and their output files, can be linked to database entries)
• find all ligands, where 3D-coordinates in complex with the receptor are available in public (PDB) and/or private database
  +
  find all complexes, where bioactivity data (in a certain range) are available
• search for ligands with certain weight, numbers of aceptors/donors, netcharge, functional groups
• show complexes with certain experimental conditions (xray/nmr/docking, pH, salt conditions, experiments done by special laboratories)
• show history of old calculations
• link name of ligand to name cited publication/ SMILE/ 2D / 3D
• list all complexes with cofactor
• give me all complex structures, where a certain ligand is bound