Fig. 3From: Semi-automated workflow for molecular pair analysis and QSAR-assisted transformation space expansionThe relationship between the rules from expanded dataset and experimental dataset. A The composition and amplification effect of rules and transformations by expanded dataset. B The plots of the extended rules versus the measured magnitude of the property change for experimental transformations. C The plots of the extended rules versus the measured magnitude of the property change for experimental rules. Above figures have that MMPA-by-QSAR method can be used for transformation and rules amplification, where the expanded rules also agree well with the magnitude and directionality of the experimental rulesBack to article page