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Maximizing gain in high-throughput screening using conformal prediction
Iterative screening has emerged as a promising approach to increase the efficiency of screening campaigns compared to traditional high throughput approaches. By learning from a subset of the compound library, inferences on what compounds to screen next can be made by predictive models, resulting in...
Autores principales: | Svensson, Fredrik, Afzal, Avid M., Norinder, Ulf, Bender, Andreas |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer International Publishing
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5821614/ https://www.ncbi.nlm.nih.gov/pubmed/29468427 http://dx.doi.org/10.1186/s13321-018-0260-4 |
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