2 papers
stat.ME2025
Multivariate Conformal Selection
Tian Bai, Yue Zhao, Xiang Yu +1
Selecting high-quality candidates from large datasets is critical in applications such as drug discovery, precision medicine, and alignment of large language models (LLMs). While C…
cs.LG2024
QComp: A QSAR-Based Data Completion Framework for Drug Discovery
Bingjia Yang, Yunsie Chung, Archer Y. Yang +2
In drug discovery, in vitro and in vivo experiments reveal biochemical activities related to the efficacy and toxicity of compounds. The experimental data accumulate into massive,…