J Chem Inf Comput Sci. 1995 Mar-Apr;35(2):272-84.

Topological approach to drug design.

Gálvez J, García-Domenech R, de Julián-Ortiz JV, Soler R.

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Department of Physical Chemistry, Faculty of Pharmacy, University of Valencia, Spain.

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.

PMID:: 7730417; [PubMed - indexed for MEDLINE]

Publication Types, MeSH Terms, Substances

Publication Types

Research Support, Non-U.S. Gov't

MeSH Terms

Substances

Pharmaceutical Preparations

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