Chemoinformatics: ADME-Tox predictions - Personalized medicine

ADME-Tox
There are many tools, some are more appropriate for toxicity predictions, some are for the preparation of a compound collection or for the selection of molecules, etc.

Off-target predictions (and in this case it will in general be anti-targets) can be investigated in silico with :

• Binding site similarity approaches: similar binding sites may bind similar ligands
• Reverse docking
• Ligand Based approaches
• Ligand−receptor pharmacophoric descriptors
• Chemogenomic approaches (eg., derive information from the simultaneous biological evaluation of multiple compounds on multiple targets) ...
• Patients data can be taken into account..