Please use this identifier to cite or link to this item:
http://nopr.niscpr.res.in/handle/123456789/16473| Title: | Comparative QSAR studies with molecular negentropy, molecular connectivity, STIMS and TAU indices: Part I - Tadpole Narcosis of diverse functional acyclic compounds |
| Authors: | Roy, Kunal Pal, Dipak Kumar De, A U Sengupta, C |
| Issue Date: | Jun-1999 |
| Publisher: | NISCAIR-CSIR, India |
| Abstract: | Comparative Quantitative Structure Activity Relationship (QSAR)
studies on three different data sets of tadpole narcosis activity with molecular negentropy (I), molecular connectivity (1 V),
STIMS (NI, NY and NX) and TAU (T, TR, F,
B) indices show
that all of these
are correlated to the activity nearly
to the same extent and explain, the
variance of the datasets better than the atopological parameter, vertex count (Nv), though only TAU and STIMS indices have diagnostic
features.
Stepwise linear regression analyses reveal
the importance of shape (B or
NX & NY) and size (Nv or
NI ) parameters as the
mechanistic interpreters of the activity. Further,
significant contribution of functionality index (F) in regression analyses
with two datasets provides a scope for re-evaluation
of the nonspecific nature of tadpole narcosis.
|
| Page(s): | 664-671 |
| Appears in Collections: | IJC-B Vol.38B(06) [June 1999] |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| IJCB 38B(6) 664-671.pdf | 1.63 MB | Adobe PDF | View/Open |
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