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Applying Mondrian Cross-Conformal Prediction to Estimate Prediction Confidence on Large Imbalanced Bioactivity Datasets
Jiangming Sun, Lars Carlsson, Ernst Ahlberg, Ulf Norinder, Ola Engkvist, Hongming Chen
doi: https://doi.org/10.1101/116764
Jiangming Sun
†External Sciences, Discovery Sciences, Innovative Medicines and Early Development Biotech Unit, AstraZeneca R&D Gothenburg, Mölndal 43183, Sweden
Lars Carlsson
‡Quantitative Biology, Discovery Sciences, Innovative Medicines and Early Development Biotech Unit, AstraZeneca R&D Gothenburg, Mölndal 43183, Sweden
Ernst Ahlberg
‖Drug Safety and Metabolism, Innovative Medicines and Early Development Biotech Unit, AstraZeneca R&D Gothenburg, Mölndal 43183, Sweden
Ulf Norinder
€Swetox, Karolinska Institutet, Unit of Toxicology Sciences, Södertälje, Sweden
Ola Engkvist
†External Sciences, Discovery Sciences, Innovative Medicines and Early Development Biotech Unit, AstraZeneca R&D Gothenburg, Mölndal 43183, Sweden
Hongming Chen
†External Sciences, Discovery Sciences, Innovative Medicines and Early Development Biotech Unit, AstraZeneca R&D Gothenburg, Mölndal 43183, Sweden
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Posted March 15, 2017.
Applying Mondrian Cross-Conformal Prediction to Estimate Prediction Confidence on Large Imbalanced Bioactivity Datasets
Jiangming Sun, Lars Carlsson, Ernst Ahlberg, Ulf Norinder, Ola Engkvist, Hongming Chen
bioRxiv 116764; doi: https://doi.org/10.1101/116764
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