COMPUTER STUDY OF RELATIONSHIPS BETWEEN E MBRYOTOXICITY AND STRUCTUREOF SYNTHETIC ANALOGS OF BIOGENIC-AMINES

Authors
BASKIN II BUZNIKOV GA KABANKIN AS LANDAU MA LEKSINA LA ORDUKHANYAN AA PALYULIN VA PETELIN DE
Citation
Ii. Baskin et al., COMPUTER STUDY OF RELATIONSHIPS BETWEEN E MBRYOTOXICITY AND STRUCTUREOF SYNTHETIC ANALOGS OF BIOGENIC-AMINES, Izvestia Akademii nauk SSSR. Seria biologiceskaa, (4), 1997, pp. 407-413
Citations number
28
Categorie Soggetti
Biology
Journal title
Izvestia Akademii nauk SSSR. Seria biologiceskaa → ACNP
ISSN journal
00023329
Issue
4
Year of publication
1997
Pages
407 - 413
Database
ISI
SICI code
0002-3329(1997):4<407:CSORBE>2.0.ZU;2-1
Abstract
We calculated 219 topological, electronic, and steric indices for each of 59 studied embryotoxic benzylalkylamines and indolamines. Statisti cally significant equations correlating embryotoxicity and five calcul ated parameters were obtained using the method of step multiple regres sion. The prognostic power of the equation was 88-90%. Discriminant fu nctions obtained by step discriminant analysis allowed prediction of t he superactivity of benzylalkylamines and indolamines with 83-87% prob ability.