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...

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Detalles Bibliográficos
Autores principales: Buterez, David, Janet, Jon Paul, Kiddle, Steven J., Liò, Pietro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
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

Internet

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

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