(449f) Classifying Antimicrobial and Multifunctional Peptides with Machine Learning
AIChE Annual Meeting
2018
2018 AIChE Annual Meeting
Engineering Sciences and Fundamentals
Data-Driven Screening of Chemical and Materials Space
Wednesday, October 31, 2018 - 9:15am to 9:30am
Antimicrobial and antifouling peptides are highly desirable biomolecules, but they are relatively rare among all known peptides. It is not intuitively apparent from an amino acid sequence whether a given peptide will exhibit these properties. Thus, it is of interest to develop a data-driven quantitative structure-activity (QSAR) model to predict potentially antimicrobial and antifouling peptides. Machine learning techniques are well-suited to such a task, and have the advantage of a robust, established pool of algorithms for learning. Here, we exhibit Bayesian network QSAR models that allow us to accurately predict whether an input peptide may exhibit antimicrobial properties, given its sequence.