Beyond Tripeptides Two-Step Active Machine Learning for Very Large Data sets.

ABSTRACT: Self-assembling peptide nanostructures have been shown to be of great importance in nature and have presented many promising applications, for example, in medicine as drug-delivery vehicles, biosensors, and antivirals. Being very promising candidates for the growing field of bottom-up manufacture of functional nanomaterials, previous work (Frederix, et al. 2011 and 2015) has screened all possible amino acid combinations for di- and tripeptides in search of such materials. However, the enormous complexity and variety of linear combinations of the 20 amino acids make exhaustive simulation of all combinations of tetrapeptides and above infeasible. Therefore, we have developed an active machine-learning method (also known as "iterative learning" and "evolutionary search method") which leverage

SUBMITTER: van Teijlingen A 

PROVIDER: S-EPMC8278388 | biostudies-literature | 2021 May

REPOSITORIES: biostudies-literature