ToxBench: A Binding Affinity Prediction Benchmark with AB-FEP-Calculated Labels for Human Estrogen Receptor Alpha

Fuente: arXiv

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Bibliographic Details
Main Authors:	Liu, Meng, Leswing, Karl, Chu, Simon K. S., Ramezanghorbani, Farhad, Young, Griffin, Marques, Gabriel, Das, Prerna, Panikar, Anjali, Jamir, Esther, Shamsudeen, Mohammed Sulaiman, Watts, K. Shawn, Sen, Ananya, Devannagari, Hari Priya, Miller, Edward B., Lihan, Muyun, Hwang, Howook, Paulsen, Janet, Yu, Xin, Gion, Kyle, Rvachov, Timur, Kucukbenli, Emine, Paliwal, Saee Gopal
Format:	Preprint
Published:	2025
Subjects:	Machine Learning Artificial Intelligence Chemical Physics Biomolecules
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2507.08966