Author

Haote Li

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Open access Aug 2026

Humanized Anti-PD-1 Antibodies Generated Using The Conditional Kernel-Elastic Autoencoder

A machine learning-based approach to evolve new anti-PD-1 antibodies within a chemically informed latent space using a conditional kernel-elastic autoencoder (CKEA) between nivolumab and pembrolizumab to preserve favorable therapeutic features while exploring variants with different potency.

Yuanjun Shi, Haote Li, Pulan Liu et al. · bioRxiv · 0 citations

Preprint Aug 2026

RxnCLF: Contrastive Transformation-Aware Reaction Foundation Model for Improved Reactivity Prediction

The results highlight the promise of CRG-based RxnCLF as a scalable reaction foundation model, with the potential to generalize across broader reaction spaces and support diverse downstream reaction informatics tasks, including regioselectivity prediction, enantioselectivity prediction, and reaction condition optimization.

Yiting Zheng, Cheng Fang, Anthony Donofrio et al. · 0 citations