Determination of structure-activity relationships for salicylaldehydes using CNDO and EHT calculations.
EHT and CNDO calculations have been performed on a series on fungicidal salicylaldehyde derivatives. Correlations are found between the inhibitory activity and several quantum-mechanical indices.
D000447:Aldehydes; D003201:Computers; D008967:Molecular Biology; D012459:Salicylates; D013329:Structure-Activity Relationship
D000447:Aldehydes; D012459:Salicylates