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cs.LG2025★ 1 cited
Assay2Mol: large language model-based drug design using BioAssay context
Yifan Deng, Spencer S. Ericksen, Anthony Gitter
Scientific databases aggregate vast amounts of quantitative data alongside descriptive text. In biochemistry, molecule screening assays evaluate candidate molecules' functional res…
cs.LG2025
A Cycle-Consistency Constrained Framework for Dynamic Solution Space Reduction in Noninjective Regression
Hanzhang Jia, Yi Gao
To address the challenges posed by the heavy reliance of multi-output models on preset probability distributions and embedded prior knowledge in non-injective regression tasks, thi…