TY - JOUR
T1 - Predicting Subcutaneous Antibody Bioavailability Using Ensemble Protein Language Models
AU - Cabreza, Miles
AU - Hojegian, William
AU - Wu, I. En
AU - Lai, Pin Kuang
N1 - Publisher Copyright:
© 2025 American Chemical Society
PY - 2025/9/1
Y1 - 2025/9/1
N2 - Monoclonal antibodies are pivotal in modern therapeutics, yet predicting their subcutaneous bioavailability remains challenging due to the intricacies of the SC environment and the limitations of traditional experimental models. In this study, we introduce a novel machine learning framework that leverages protein language models (PLMs) to derive high-dimensional embeddings directly from antibody sequences. Using three distinct PLMs─antiBERTy, ABlang, and ESM-2─we extracted numerical representations that were subsequently refined via feature selection and dimensionality reduction. A systematic evaluation of multiple classifiers using Leave-One-Out cross-validation led us to develop a robust ensemble model based on a tuned support vector machine classifier, which achieved a validation accuracy of 89%. This ensemble approach, which aggregates predictions across antibodies, outperforms prior computational methods. To facilitate broad accessibility, we deployed the model as a web application, SubQAvail, enabling rapid bioavailability predictions from input antibody sequences. Our findings demonstrate the potential of integrating PLM-derived features with ensemble learning to enhance the predictive accuracy and scalability of mAb bioavailability assessment, thereby accelerating the therapeutic development pipeline.
AB - Monoclonal antibodies are pivotal in modern therapeutics, yet predicting their subcutaneous bioavailability remains challenging due to the intricacies of the SC environment and the limitations of traditional experimental models. In this study, we introduce a novel machine learning framework that leverages protein language models (PLMs) to derive high-dimensional embeddings directly from antibody sequences. Using three distinct PLMs─antiBERTy, ABlang, and ESM-2─we extracted numerical representations that were subsequently refined via feature selection and dimensionality reduction. A systematic evaluation of multiple classifiers using Leave-One-Out cross-validation led us to develop a robust ensemble model based on a tuned support vector machine classifier, which achieved a validation accuracy of 89%. This ensemble approach, which aggregates predictions across antibodies, outperforms prior computational methods. To facilitate broad accessibility, we deployed the model as a web application, SubQAvail, enabling rapid bioavailability predictions from input antibody sequences. Our findings demonstrate the potential of integrating PLM-derived features with ensemble learning to enhance the predictive accuracy and scalability of mAb bioavailability assessment, thereby accelerating the therapeutic development pipeline.
KW - bioavailability
KW - high-concentration antibody formulation
KW - machine learning
KW - protein language models
KW - subcutaneous injection
UR - https://www.scopus.com/pages/publications/105014652535
UR - https://www.scopus.com/pages/publications/105014652535#tab=citedBy
U2 - 10.1021/acs.molpharmaceut.5c00523
DO - 10.1021/acs.molpharmaceut.5c00523
M3 - Article
C2 - 40764664
AN - SCOPUS:105014652535
SN - 1543-8384
VL - 22
SP - 5504
EP - 5511
JO - Molecular Pharmaceutics
JF - Molecular Pharmaceutics
IS - 9
ER -