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BounDr.E: Predicting Drug-likeness via Biomedical Knowledge Alignment and EM-like One-Class Boundary Optimization

Dongmin Bang, Inyoung Sung, Yinhua Piao, Sangseon Lee, Sun Kim. BounDr.E: Predicting Drug-likeness via Biomedical Knowledge Alignment and EM-like One-Class Boundary Optimization. In Forty-second International Conference on Machine Learning, ICML 2025, Vancouver, BC, Canada, July 13-19, 2025. OpenReview.net, 2025. [doi]

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