Redefining the Task of Bioactivity Prediction
Published in ICLR 2025, 2025
Recommended citation: Yanwen Huang*, Bowen Gao*, Yinjun Jia, Hongbo Ma, Wei-Ying Ma, Ya-Qin Zhang, Yanyan Lan. "Redefining the Task of Bioactivity Prediction." International Conference on Learning Representations (ICLR), 2025. https://openreview.net/pdf?id=S8gbnkCgxZ
Yanwen Huang, Bowen Gao, Yinjun Jia, Hongbo Ma, Wei-Ying Ma, Ya-Qin Zhang, Yanyan Lan
Abstract
This paper redefines the task of bioactivity prediction by addressing fundamental challenges in current approaches to drug discovery. We propose novel metrics and methodologies that better align with practical needs in pharmaceutical research.
Venue: International Conference on Learning Representations (ICLR) 2025
Status: Accepted