This paper analyzes the relative efficacies of lipophilicity vis‐à‐vis topological indices in the correlation of the biological properties of four groups of bioactive molecules: alcohols, barbiturates, triazinones, and ketobemidones. Wiener number (W), information‐theoretic topological parameters (IC, SIC, CIC, IWD, and IWD), and molecular connectivity indices (1χ, 1χv) were used as the molecular descriptors. Results show that theoretical indices are comparable or superior to log P in biological correlations.
- Biological activity—comparison of lipophilicity with topological molecular descriptors, diverse molecules
- Lipophilicity—correlations with topological molecular descriptors, assessment of the biological activity of diverse molecules
- Topology—molecular descriptors, comparison with lipophilicity, assessment of the biological activity of diverse molecules