SynRXN: An Open Benchmark and Curated Dataset for Computational Reaction Modeling

Tieu-Long Phan, Nhu-Ngoc Nguyen Song, Peter F. Stadler

We present SynRXN, a unified benchmarking framework and open-data resource for computer-aided synthesis planning (CASP). SynRXN decomposes end-to-end synthesis planning into five t…