Abstract
A newly formulated information-theoretic topological index - complementary information content (CIC) - defined for the planar chemical graph of molecules is applied in the QSAR studies of congeneric series of alcohols. Results show that CIC can quantitatively predict the LC50 values of the congeners at a level comparable with that of log P.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 501-503 |
| Number of pages | 3 |
| Journal | Arzneimittel-Forschung/Drug Research |
| Volume | 33 |
| Issue number | 4 |
| State | Published - Jan 1 1983 |