A new plausibility metric and a 6.4M-reaction dataset are proposed for benchmarking LLM retrosynthesis, and a model trained on that dataset scores highest under the metric.
Title resolution pending
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
cs.LG 1years
2026 1verdicts
REJECT 1representative citing papers
citing papers explorer
-
When Single Answer Is Not Enough: Rethinking Single-Step Retrosynthesis Benchmarks for LLMs
A new plausibility metric and a 6.4M-reaction dataset are proposed for benchmarking LLM retrosynthesis, and a model trained on that dataset scores highest under the metric.