TOPOLOGICAL APPROACH TO DRUG DESIGN

Authors
GALVEZ J GARCIADOMENECH R DEJULIANORTIZ JV SOLER R
Citation
J. Galvez et al., TOPOLOGICAL APPROACH TO DRUG DESIGN, Journal of chemical information and computer sciences, 35(2), 1995, pp. 272-284
Citations number
24
Categorie Soggetti
Information Science & Library Science","Computer Application, Chemistry & Engineering","Computer Science Interdisciplinary Applications",Chemistry,"Computer Science Information Systems
Journal title
Journal of chemical information and computer sciences → ACNP
ISSN journal
00952338
Volume
35
Issue
2
Year of publication
1995
Pages
272 - 284
Database
ISI
SICI code
0095-2338(1995)35:2<272:TATDD>2.0.ZU;2-1
Abstract
In this paper we demonstrate that by an adequate combination of differ ent topological indices it is possible to select and design new active compounds in different therapeutical scopes, with a very high efficie ncy level. Particularly successful in the search of new ''lead drugs'' , the results show the surprising ability of the topological methods t o describe molecular structures.