QSAR equation: P = f (descriptor(s) of molecular structure)

P_{1 to 2} = f (from D₁ to D₂) property P₂ to P₃
  structures to fit D₂ to D₃ interval of descriptor

Main co-workers:

Literature:

1. Skvortsova M. I., Baskin I. I., Slovokhotova O. I., Palyulin V. A., Zefirov N. S., Inverse problem in QSAR/QSPR studies for the case of topological indices characterizing molecular shape (Kier indices). Journal of Chemical Information and Computer Science, 1993, 33, (4), 630-634.
2. Gordeeva E. V., Molchanova M. S., Zefirov N. S., General methodology and computer program for the exhaustive restoring of chemical structures by molecular connectivity indexes. Solution of the inverse problem in QSAR/QSPR. Tetrahedron Computer Methodology, 1990, 3, (6B), 389-415.