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Russian Academy of Science

Institute of Physiologically Active Compounds ( IPAC )
Department of Computer-Aided Molecular Design

   The Department of Computer-Aided Molecular Design (CAMD) are carring out investigations in the field of QSAR (including mehodology of QSAR, quantitative descriptions of molecular structure and hydrogen bond, prediction of chemicals properties on the basis of physico-chemical descriptors), hydrogen bond and supramolecular complexes. The most remarkable publications are connected with the creation of H-bond donor and acceptor scales (Quant.Struct.-Act.Relat., 1992, v.11, 49-64), the DIscriminant-REgression Model ( DIREM ) ( Ouant.Struct.-Act.Relat., 1994, v.13, pp.412-418), the spectra of interatomic interactions ( J.Phys.Org.Chem., 1997, v.10, pp. 402-411).
   The Department of CAMD consists of the Laboratory of QSAR, the Group of Supramolecular Thermodynamics and the IT Group.