I have synthesised 36 compounds series having indole moeity, and evaluated their Antifungal MIC value, Now I want to perfom QSAR to predict the potent compound in this series. Suggest the best Physicochemical parameter for this.
M.Doğa Ertürk
I'd first plot the activity of compounds against their hydrophobicity (Log Kow). Then, a frontier orbital parameter like HOMO or LUMO (or even the HOMO-LUMO energy gap) might help reduce the remaining variance.
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