TY - RPRT TI - Antiviral discovery using sparse datasets by integrating experiments, molecular simulations, and machine learning AU - Cesaro, Angela [Univ. of Pennsylvania, Philadelphia, PA (United States)] AU - Wan, Fangping [Univ. of Pennsylvania, Philadelphia, PA (United States)] AU - Shi, Haoyuan [Cornell Univ., Ithaca, NY (United States)] AU - Wang, Kaiyang [Cornell Univ., Ithaca, NY (United States)] AU - Maupin, C. Mark [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] AU - Barker, Matt L. [Procter & Gamble Co., Cincinnati, OH (United States)] AU - Liu, Jiqian [Procter & Gamble Co. (Singapore)] AU - Fox, Stephen J. [Procter & Gamble Co., Cincinnati, OH (United States)] AU - Yeo, Jingjie [Cornell Univ., Ithaca, NY (United States)] AU - de la Fuente-Nunez, Cesar [Univ. of Pennsylvania, Philadelphia, PA (United States)] PY - 2025 DO - 10.1016/j.xcrp.2025.102554 UR - https://www.osti.gov/biblio/2570404 ID - 2570404 ER -