Machine learning based predictive model for the analysis of sequence activity relationships using protein spectra and protein descriptors.

Accurately establishing the connection between a protein sequence and its function remains a focal point within the field of protein engineering, especially in the context of predicting the effects of mutations. From this, there has been a continued drive to build accurate and reliable predictive models via machine learning that allow for the virtual screening of many protein mutant sequences, measuring the relationship between sequence and 'fitness' or 'activity', commonly known as a Sequence-Activity-Relationship (SAR). An important preliminary stage in the building of these predictive models is the encoding of the chosen sequences.