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Current application of conformal prediction in drug discovery |
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| Authors: | Ernst Ahlberg Oscar Hammar Claus Bendtsen Lars Carlsson |
| Affiliation: | 1.Predictive Compound ADME & Safety, Drug Safety & Metabolism,AstraZeneca, Innovative Medicines & Early Development,M?lndal,Sweden;2.Quantitative Biology, Discovery Sciences,AstraZeneca, Innovative Medicines & Early Development,M?lndal,Sweden;3.Quantitative Biology, Discovery Sciences,AstraZeneca, Innovative Medicines & Early Development,Cambridge,UK |
| Abstract: | We present two applications of conformal prediction relevant to drug discovery. The first application is around interpretation of predictions and the second one around the selection of compounds to progress in a drug discovery project setting. |
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