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Benchmarking Data Sets from PubChem BioAssay Data: Current Scenario and Room for Improvement
Developing realistic data sets for evaluating virtual screening methods is a task that has been tackled by the cheminformatics community for many years. Numerous artificially constructed data collections were developed, such as DUD, DUD-E, or DEKOIS. However, they all suffer from multiple drawbacks,...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7352161/ https://www.ncbi.nlm.nih.gov/pubmed/32575564 http://dx.doi.org/10.3390/ijms21124380 |