Benchmarking and Experimental Validation of Machine Learning Strategies for Enzyme Engineering
Zishuo Zeng, Jiao Jin, Rufang Xu, 武玉真, Xiaozhou Luo
This study benchmarks machine learning models for enzyme engineering using a curated dataset, finding zero-shot predictors are most generalizable but still modestly correlated with activity, with consensus models improving precision.
Journal of Chemical Information and Modeling · Oct 28, 2026Peer-reviewedBioengineering