Topological Approach to Drug Design
Jorge Gálvez, Ramón García‐Domenech, Jesus Vicente de Julián‐Ortiz, Rosa M. Soler · Journal of Chemical Information and Computer Sciences · 1995
In this paper we demonstrated that by an adequate combination of different topological indices it is possible to select and design new active compounds in different therapeutical scopes, with a very high efficiency level. Particularly successful in the search of new "lead drugs", the results show the surprising ability of the topological methods to describe molecular structures.