1 citations · 1 across the 4 of their papers we have counts for
Showing 2026Show all
2 papers · 1 filter
cs.HC2026
MolecularCanvas: LLM-assisted Small-Molecule Drug Discovery via Structure-Guided Constraints
Haoyu Dong, Rui Sheng, Shuhao Zhang +7
Small-molecule drug discovery relies on iterative molecular optimization, where chemists repeatedly modify candidate compounds to balance multiple competing properties such as effi…
cs.AI2026
Can Agents Price a Reaction? Evaluating LLMs on Chemical Cost Reasoning
Yuyang Wu, Yue Huang, Shuaike Shen +8
Large Language Models (LLMs) have become increasingly capable as tool-using agents, with benchmarks spanning diverse general agentic tasks. Yet rigorous evaluation of scientific to…