Russian Academy of Science
Institute of Physiologically Active
Compounds ( IPAC )
Department of Computer-Aided Molecular Design
1979 - The creation of the Laboratory of Physico-chemical Investigations of
Institute of Physiologicaly Active Compounds (IPAC).
1982 - First remarkable publications devoted to H-bond QSAR descriptors and
spectrum of interatomic distances in russian journals.
1986 - The creation of first computer program RASTR (Reacognition of Active
STRuctures) for QSAR.
1987 - The publication devoted to H-bond QSAR descriptors and spectrum of
interatomic distances in english (QSAR in Drug Design and Toxicology, eds. D.Hadzy and
B.Jerman-Blazic, Amsterdam, Elsevier, 1987, pp. 30-36).
1990 - The transformation of the Laboratory of Physico-chemical investigations in
the Laboratory of Computer-Aided Molecular Design.
The presentation of reports on VIII European Symposium on QSAR (Sorrento, 9-13 September).
1991 - The creation of program package DNESTR (Design of New Effective
1992 - The creation of program package HYBOT (HYdrogen BOnd Thermodynamics).
The presentation of oral report and posters on IX European Simposium on QSAR (Strasburg,
The publication of O.A.Raevsky.Ju.Grigor’ev, D.Kireev, N.S.Zefirov, “Complete
Thermodynamic Description of H-Bonding in the Framework of Multiplicative Approach”, Quant.Struct.-Act.Relat.,
1992, v.11, 49-64.
1993 - up to now - The participation in Editorial Board of journal “Quantitative
1994 - up to now - The participation in the Board of International QSAR and
The presentation of oral report and posters on X European Simposium on QSAR (Barcelona,
1995 - The creation of the program package MOLTRA (MOLecular TRansform
The participation in Gordon Conference on QSAR as the chair of poster session.
The publication O.A.Raevsky, A.M.Sapegin, N.S.Zefirov, “ The QSAR
1996 - The creation of program package SLIPPER (Solubility, LIPophilicity,
The presentation of reports on XI European Simposium on QSAR (Lausanne, 1-6 September).
1997 - The creation of the program package MOLDIVS (MOLecular DIVersity
The publications O.A.Raevsky, “Hydrogen Bond Strength Estimation by means of
HYBOT”, in “Computer - Assisted Lead Finding and Optimization”,
eds. H.Waterbeemd, B.Testa, G.Folkers, 1997, Basel: Verlag, pp. 367-378;
O.A.Raevsky, "Quantification.of Non-covalent Interactions on the Basis of the
Thermodynamic Hydrogen Bond Parameters", J.Phys.Org.Chem., v. 10, pp.405-413.
1998 - The transformation of the Laboratory of Computer-Aided Molecular Design in
the Department of Computer-Aided Molecular Design.
The creation of program HYBOT-PLUS .
The creation of the program CONFAN (CONFormational ANalysis).
The creation of program DISCO (DISsociation COnstants).
The participation in Scientific Advisory Board of XII European Simposium on QSAR
(Copengagen, 23-28 August).