RETROSPECT系统提高了化学逆合成预测的准确性

报道来源 [3]

1. arXiv cs.AI TIER_1 English(EN) · Hanbum Ko, Chanhui Lee, Ye Rin Kim, Rodrigo Hormazabal, Sehui Han, Sungbin Lim, Sungwoong Kim · 2026-06-09 04:00

   RetroReasoner：用于战略逆合成预测的推理大模型

   arXiv:2603.12666v2 Announce Type: replace-cross Abstract: Retrosynthesis prediction aims to identify reactants that can synthesize a given product molecule. Although molecular large language models (LLMs) have recently shown promising results, most existing methods either generat…

2. arXiv cs.AI TIER_1 English(EN) · Raja Sekhar Pappala, Shreyas Vinaya Sathyanarayana, Ronit Kumar Choudhary, Arjun Verma, Deepak Warrier · 2026-06-08 04:00

   回顾：通过顺序预测进行逆合成分析，以及化学转化排序

   arXiv:2606.07181v1 Announce Type: cross Abstract: Single-step retrosynthesis needs both accurate first-ranked suggestions and candidate lists that are rich enough for downstream selection. We study this as a proposal-selection decomposition. Our system, RETROSPECT, combines a sin…

3. arXiv cs.LG TIER_1 English(EN) · Deepak Warrier · 2026-06-05 11:45

   回顾：通过顺序预测进行逆合成分析，以及化学转化排序

   Single-step retrosynthesis needs both accurate first-ranked suggestions and candidate lists that are rich enough for downstream selection. We study this as a proposal-selection decomposition. Our system, RETROSPECT, combines a single Transformer proposal model, which we call the …