Author

Anthony Donofrio

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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