10 citations · 10 across the 2 of their papers we have counts for
2 papers
cs.LG2026
When Single Answer Is Not Enough: Rethinking Single-Step Retrosynthesis Benchmarks for LLMs
Bogdan Zagribelnyy, Ivan Ilin, Maksim Kuznetsov +10
Recent progress has expanded the use of large language models (LLMs) in drug discovery, including synthesis planning. However, objective evaluation of retrosynthesis performance re…
cs.AI2021★ 10 cited
Chemistry42: An AI-based platform for de novo molecular design
Yan A. Ivanenkov, Alex Zhebrak, Dmitry Bezrukov +7
Chemistry42 is a software platform for de novo small molecule design that integrates Artificial Intelligence (AI) techniques with computational and medicinal chemistry methods. Che…