By varying the charge from -2 to +2, at integer values, we saw a difference in the predicted molecules. Similarly, the presence of the chemical formula biased the model in predicting molecules for the specific formula alone. This aspect was useful if a single formula or multiple formulae could be determined with high accuracy from the high-resolution mass spectrometry instrument processing software. Depending on the accuracy of the mass and the sensitivity of the instrument, a number of formulae could be determined and thus used to get specific results. In the absence of a chemical formula, the MSNovelist pipeline used an in-built elemental composition determination model based on SIRIUS, and predicted structures for a wide range of chemical formulae with similar mass .