STRUCTURE-ACTIVITY STUDY ON ANTICONVULSANT (THIO) HYDANTOINS USING MOLECULAR CONNECTIVITY INDEXES

Authors
DANG P MADAN AK
Citation
P. Dang et Ak. Madan, STRUCTURE-ACTIVITY STUDY ON ANTICONVULSANT (THIO) HYDANTOINS USING MOLECULAR CONNECTIVITY INDEXES, Journal of chemical information and computer sciences, 34(5), 1994, pp. 1162-1166
Citations number
73
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
34
Issue
5
Year of publication
1994
Pages
1162 - 1166
Database
ISI
SICI code
0095-2338(1994)34:5<1162:SSOA(H>2.0.ZU;2-D
Abstract
The relationship between molecular connectivity indices and anticonvul sant activity of a series of hydantoin/thiohydantoin analogs has been investigated. The values of molecular connectivity index and valence m olecular connectivity index of 82 compounds were computed and active r anges were identified. The activity assigned to each analog using thes e topological descriptors was subsequently compared with the reported activity against maximal electroshock convulsions. Predictions with hi gh degree of accuracy were observed using these indices.