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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Ahlberg, E., Hammar, O., Bendtsen, C. et al. Current application of conformal prediction in drug discovery. Ann Math Artif Intell 81, 145–154 (2017). https://doi.org/10.1007/s10472-017-9550-1
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DOI: https://doi.org/10.1007/s10472-017-9550-1