The problem of topological indices;
graph theory in application to chemical problems

Main co-workers:

Dr. I. V. Stankevich, Dr. S. S. Tratch, Dr. V. A. Palyulin, Dr. I. I. Baskin, Dr. M. I. Skvortsova.


  1. Tratch S. S., Stankevich M. I., Zefirov N. S., Combinatorial model and algorithms in chemistry. The expanded Wiener number - a novel topological index. Journal of Computational Chemistry, 1990, 11, (8), 899-908.
  2. Baskin I. I., Skvortsova M. I., Stankevich I. V., Zefirov N. S., On the basis of invariants of labeled molecular graphs. Journal of Chemical Information and Computer Science, 1995, 35, (3), 527-531.
  3. Stankevich I. V., Tratch S. S., Zefirov N. S., Combinatorial models and algorithms in chemistry. Search for isomorphisms and automorphisms of molecular graphs. Journal of Computational Chemistry, 1988, 9, (4), 303-314.

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