Technical skill sheet

Statistical Learning on Molecule Databases

  • Centre of research : MINES ParisTech, centre de bio-informatique - CBIO
  • Prestation : Research and Development

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Know-how


Development of new virtual screening methods by statistical learning on molecule data banks.
Keywords : virtual screening : docking, statistical learning on molecule databases, ligand-based methods.

Applications


Drugs research (biotechnologies, pharmaceutical industry)

Equipment


Software and servers :
- ChemCpp (http://chemcpp.sourceforge.net) : C++ toolbox for computational chemistry