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MF-PCBA: Multifidelity High-Throughput Screening Benchmarks for Drug Discovery and Machine Learning
[Image: see text] High-throughput screening (HTS), as one of the key techniques in drug discovery, is frequently used to identify promising drug candidates in a largely automated and cost-effective way. One of the necessary conditions for successful HTS campaigns is a large and diverse compound libr...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10170507/ https://www.ncbi.nlm.nih.gov/pubmed/37058588 http://dx.doi.org/10.1021/acs.jcim.2c01569 |