TempRe shows that autoregressively generating reaction templates, and even whole synthesis routes as template sequences, beats template classification and SMILES generation on single-step and multi-step retrosynthesis benchmarks.
Automated synthesis of peptides: Solid-phase peptide synthesis, a simple and rapid synthetic method, has now been automated.Science, 150(3693):178–185, 1965
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TempRe: Template generation for single and direct multi-step retrosynthesis
TempRe shows that autoregressively generating reaction templates, and even whole synthesis routes as template sequences, beats template classification and SMILES generation on single-step and multi-step retrosynthesis benchmarks.