Topological Pharmacophores New Methods and Their Application to a Set of Antimalarials Part 3: Results from LOCON
Rainer Franke, W.J. Streich · Quantitative Structure-Activity Relationships · 1985
Abstract The LOCON procedure described in the first part of this series is applied to a set of antimalarials as a test case. Its principle consists in the stepwise evaluation of conjunctions such that sets of compounds characterized by these conjunctions have high mean values of biological activity. The conjunctions are obtained from binary descriptors which characterize the presence or absence of predefined substructural features using the logical operator “and”. Clear substructural patterns typical of the highly active compounds are obtained which supplement the LOGANA results presented in Part 2 of this series. There is very good agreement with corresponding Hansch equations taken from the literature so that similar predictions result from both approaches.