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. 1995 Mar-Apr;35(2):272-84.
doi: 10.1021/ci00024a017.

Topological approach to drug design

J Gálvez  1 , R García-Domenech, J V de Julián-Ortiz, R Soler
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Topological approach to drug design

J Gálvez et al. J Chem Inf Comput Sci. 1995 Mar-Apr.

Erratum in

  • J Chem Inf Comput Sci 1995 Sep-Oct;35(5):938

Abstract

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.

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