Generating experimentally unrelated target molecule-binding highly functionalized nucleic-acid polymers using machine learning

In vitro library screening is a powerful approach to identify functional biopolymers, but only covers a fraction of possible sequences. Here, the authors use experimental in vitro selection results to train a conditional variational autoencoder machine learning model that generates biopolymers with...

Full description

Bibliographic Details
Main Authors: Jonathan C. Chen, Jonathan P. Chen, Max W. Shen, Michael Wornow, Minwoo Bae, Wei-Hsi Yeh, Alvin Hsu, David R. Liu
Format: Article
Language:English
Published: Nature Portfolio 2022-08-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-022-31955-4
Description
Summary:In vitro library screening is a powerful approach to identify functional biopolymers, but only covers a fraction of possible sequences. Here, the authors use experimental in vitro selection results to train a conditional variational autoencoder machine learning model that generates biopolymers with no apparent sequence similarity to experimentally derived examples, but that nevertheless bind the target molecule with similar potent binding affinity.
ISSN:2041-1723