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The signal intensity prediction formula is as follows. We have also supplemented a Microsoft Excel sheet containing this formula with the online version of this manuscript for the convenience of our readers. Please note that Content A, T, C and G need to be entered as decimals.

Predicted Normalized Signal Intensity = −0.00656 MW − 5.43532 Density + 0.02322 Boiling Point + 1.61079 pKa − 0.12832 Proton Affinity − 0.14625 Gas Phase Basicity + 0.23521 Partition Coefficient + 0.00005 Water Solubility − 0.00012 Vapor Pressure + 0.00340 Henry’s Law Constant + 4.75149 Content A + 7.00368 Content T + 4.39043 Content C + 0.55245 Content G + 47.72180.

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