2 papers
cs.LG2026
Case-Guided Sequential Assay Planning in Drug Discovery
Tianchi Chen, Jan Bima, Sean L. Wu +3
Optimally sequencing experimental assays in drug discovery is a high-stakes planning problem under severe uncertainty and resource constraints. A primary obstacle for standard rein…
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,…