Zero-shot retention time prediction for unseen post-translational modifications with molecular structure encodings
Ceder Dens, Darien Yeung, Oleg V. Krokhin…·Wout Bittremieux
The paper introduces MoSTERT and MoSTERT-2S, transformer-based models for zero-shot retention time prediction of peptides with unseen post-translational modifications, achieving state-of-the-art performance on an external dataset.