MF-PCBA: Multifidelity High-Throughput Screening Benchmarks for Drug Discovery and Machine Learning - researchr publication

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David Buterez, Jon Paul Janet, Steven J. Kiddle, Pietro Liò. MF-PCBA: Multifidelity High-Throughput Screening Benchmarks for Drug Discovery and Machine Learning. Journal of Chemical Information and Computer Sciences, 63(9):2667-2678, May 2023. [doi]

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