Topological approach to drug design.
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.
Gálvez
J
J
Department of Physical Chemistry, Faculty of Pharmacy, University of Valencia, Spain.
García-Domenech
R
R
de Julián-Ortiz
J V
JV
Soler
R
R
D000818:Animals; D017076:Computer-Aided Design; D016002:Discriminant Analysis; D015195:Drug Design; D006801:Humans; D015394:Molecular Structure; D004364:Pharmaceutical Preparations / Q000737:chemistry; D013329:Structure-Activity Relationship
D004364:Pharmaceutical Preparations